SCHEMBL595285

SCHEMBL595285

OCc1cccc(CO)c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.55
GABRB2 P47870 2/20 0.55
APOBEC3G Q9HC16 1/20 0.44
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HSPA5 P11021 1/20 0.38
TSHR P16473 2/20 0.35
CYP2A6 P11509 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDK2 Q15119 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8122970 0.90 GABRA1 (0.46) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL16953362 0.88 GABRA1 (0.77) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL608328 0.87 GABRA1 (0.42) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL12665692 0.85 HSPA5 (0.48) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL16958194 0.84 GABRA1 (0.52) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL31035446 0.83 ALDH1A1 (0.40) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL16956748 0.83 GABRA1 (0.39) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL31145066 0.83 GPR84 (0.42) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL596529 0.83 GABRA1 (0.44) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL5929950 0.83 ALDH1A1 (0.40) GABRA1GABRB2APOBEC3GPDCD1CD274

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028482-A1 Substitution at the Central Position of Heptamethine Dyes By Aryllithium Addition for Improved Fluorophores UNIV ARKANSAS (US) 2026-01-29 US disclosed
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 US disclosed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
WO-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
WO-2020186504-A1 A NEW TYPE OF ANTITUMOR COMPOUNDS: DERIVATIVES OF 7-PROPANAMIDE SUBSTITUTED BENZOXABOROLE SHANGHAI JIAO TONG UNIVERSITY (CN) 2020-09-24 WO disclosed
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-02-13 US disclosed
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
WO-2019153324-A1 DERIVATIVES OF 7-FATTY ACID SUBSTITUTED BENZOXABOROLE AND THEIR PREPARATION AND USE SHANGHAI JIAO TONG UNIVERSITY (CN) 2019-08-15 WO disclosed
US-20050080278-A1 Production methods of citalopram and intermediates therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2005-04-14 US disclosed
EP-1095926-B1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SUMIKA FINE CHEMICALS CO LTD (JP) 2004-10-06 EP disclosed
US-20040044232-A1 Production methods of citalopram and intermediates therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-03-04 US disclosed
US-20020151728-A1 Production methods of 5-phthalancarbonitrile compound and an intermediate therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-10-17 US disclosed
US-6433195-B1 4-HALO-M-XYLYLENE GLYCOLS, ESTERS, ETHERS, AND TRIALKYLSILYL DERIVATEVES AS NOVEL INTERMEDIATES FOR CITALOPRAM PRODUCTION SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-08-13 US disclosed
US-6395910-B2 USEFUL AS CHEMICAL INTERMEDIATE FOR CITALOPRAM WHICH IS AN ANTIDEPRESSANT; POLLUTION CONTROL SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-05-28 US disclosed
US-20020045770-A1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-04-18 US disclosed
US-20010056194-A1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-27 US disclosed
US-6310222-B1 1-(P-FLUOROPHENYL)-5-(HYDROXYMETHYL)DIHYDROBENZOFURAN SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-10-30 US disclosed
EP-1095926-A2 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-05-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050080278-A1 Production methods of citalopram and intermediates therefor TPH1, SLC6A4, CYP4F11 GABRA1 536/4885GABRB2 553/4885APOBEC3G 1828/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA GABRA1 1337/4885GABRB2 268/4885APOBEC3G 4630/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA GABRA1 1337/4885GABRB2 268/4885APOBEC3G 4630/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA GABRA1 1337/4885GABRB2 268/4885APOBEC3G 4630/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA GABRA1 1337/4885GABRB2 268/4885APOBEC3G 4630/4885
US-20010056194-A1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SLC39A11, CYP4F11, SLC39A14 GABRA1 1411/4885GABRB2 2086/4885APOBEC3G 3966/4885
US-20020045770-A1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SLC39A11, CYP4F11, SLC39A14 GABRA1 1411/4885GABRB2 2086/4885APOBEC3G 3966/4885
US-20020151728-A1 Production methods of 5-phthalancarbonitrile compound and an intermediate therefor SLC39A11, CYP4F11, SLC39A14 GABRA1 1646/4885GABRB2 2349/4885APOBEC3G 4057/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA GABRA1 1337/4885GABRB2 268/4885APOBEC3G 4630/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA GABRA1 1337/4885GABRB2 268/4885APOBEC3G 4630/4885
US-20040044232-A1 Production methods of citalopram and intermediates therefor PPIF, SLC39A11, CYP4F11 GABRA1 788/4885GABRB2 977/4885APOBEC3G 3530/4885
US-20260028482-A1 Substitution at the Central Position of Heptamethine Dyes By Aryllithium Addition for Improved Fluorophores KCNK5, KCNA7, KCNA4 GABRA1 1607/4885GABRB2 1007/4885APOBEC3G 2437/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.