SCHEMBL13468

SCHEMBL13468

Brc1ccc2c(cnn2C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.39
SCD O00767 2/20 0.38
TNKS O95271 2/20 0.38
GPR119 Q8TDV5 2/20 0.37
ABL1 P00519 1/20 0.36
PIK3CD O00329 1/20 0.36
HTR2A P28223 5/20 0.35
HTR7 P34969 5/20 0.35
KCNH2 Q12809 3/20 0.35
DRD2 P14416 2/20 0.35
KMO O15229 1/20 0.34
SYK P43405 1/20 0.34
NOS1 P29475 1/20 0.33
METAP2 P50579 1/20 0.33
CSNK2A1 P68400 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 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
SCHEMBL25045382 0.93 HTR7 (0.39) HDAC8SCDTNKSGPR119ABL1
SCHEMBL17678127 0.93 PDE9A (0.38) HDAC8SCDTNKSGPR119ABL1
SCHEMBL24268646 0.92 NR3C1 (0.39) HDAC8SCDGPR119ABL1HTR7
SCHEMBL10060682 0.91 MEN1 (0.43) HDAC8SCDTNKSGPR119PIK3CD
SCHEMBL30450183 0.91 MEN1 (0.43) HDAC8SCDTNKSGPR119PIK3CD
SCHEMBL30122245 0.89 PIK3CD (0.47) PIK3CD
Hydrochloric Acid SCHEMBL30508276 0.89 MEN1 (0.42) HDAC8SCDTNKSGPR119PIK3CD
SCHEMBL26683794 0.88 HTR1A (0.46) SCDGPR119HTR2AHTR7KCNH2
SCHEMBL31104405 0.86 KMO (0.43) SCDABL1PIK3CDHTR7KMO
SCHEMBL16595822 0.86 KMO (0.43) SCDABL1PIK3CDHTR7KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262808-A1 XANTHINE OXIDASE INHIBITOR JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2024-08-08 US disclosed
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 EP disclosed
EP-4335844-A1 CLASS OF XANTHINE OXIDASE INHIBITORS Jiangsu Atom Bioscience and Pharmaceutical Co., Ltd. (CN) 2024-03-13 EP disclosed
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 CN disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
CN-111303118-B Compounds and their use in the treatment of hepatitis B 清华大学 2021-11-09 CN disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
EP-2485591-B1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 WO disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO 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 (6 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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN HDAC8 461/4885SCD 1522/4885TNKS 539/4885
US-20240262808-A1 XANTHINE OXIDASE INHIBITOR XDH, PNPO, MPO HDAC8 2076/4885SCD 1356/4885TNKS 3403/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN HDAC8 461/4885SCD 1522/4885TNKS 539/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN HDAC8 461/4885SCD 1522/4885TNKS 539/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 HDAC8 808/4885SCD 171/4885TNKS 1822/4885
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 HDAC8 4746/4885SCD 1496/4885TNKS 2026/4885

“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.