SCHEMBL913728

SCHEMBL913728

Nc1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ SLC6A2 P23975 1/20 0.69
▸ SLC6A3 Q01959 1/20 0.69
▸ RAB9A P51151 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ LMNA P02545 4/20 0.58
▸ ALDH1A1 P00352 5/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPT P10636 2/20 0.55
▸ PBRM1 Q86U86 1/20 0.54
▸ HTT P42858 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ MAOB P27338 1/20 0.50
▸ JMJD6 Q6NYC1 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ADRB2 P07550 1/20 0.49

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
Hydrochloric Acid SCHEMBL8669502 0.98 TDP1 (0.67) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL28639312 0.90 RAB9A (0.56) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL19866979 0.88 KMT2A (0.82) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL312910 0.88 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL4993714 0.87 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL12856431 0.87 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL8761237 0.84 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL6163969 0.84 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL27395893 0.84 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL181934 0.83 TDP1 (0.73) TDP1KMT2ASLC6A2SLC6A3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 — — US disclosed
US-11214538-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-01-04 — — US disclosed
EP-3353152-B1 METHOD NORSK MEDISINSK SYKLOTRONSENTER AS (NO) 2021-09-15 — — EP disclosed
US-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2021-02-04 — — US disclosed
US-20210002230-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE Stingthera, Inc. 2021-01-07 — — US disclosed
WO-2020232378-A1 BENZO[B][1,8]NAPHTHYRIDINE ACETIC ACID DERIVATIVES AND METHODS OF USE SILICON SWAT, INC. (US) 2020-11-19 — — WO disclosed
US-10745358-B2 Oxoacridinyl acetic acid derivatives and methods of use SILICON SWAT, INC. (US) 2020-08-18 — — US disclosed
US-10703712-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-07-07 — — US disclosed
WO-2020116875-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 두산솔루스 주식회사 2020-06-11 — — WO disclosed
US-10336747-B2 Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells Université de Montréal 2019-07-02 — — US disclosed
EP-0523845-A2 New benzodiazepine analogs MERCK & CO. INC. (US) 1993-01-20 — — EP disclosed
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 — — WO disclosed
EP-0490590-A1 New benzodiazepine analogs MERCK & CO. INC. (US) 1992-06-17 — — EP disclosed
EP-0434369-A1 New benzodiazepine analogs MERCK & CO. INC. (US) 1991-06-26 — — EP disclosed
EP-0434364-A2 Benzodiazepine analogs for treating panic syndrome and for directly inducing analgesia MERCK & CO. INC. (US) 1991-06-26 — — EP disclosed
EP-0434360-A1 New benziodiazepine analogs MERCK & CO. INC. (US) 1991-06-26 — — EP disclosed
EP-0038195-B1 PHENYLAMINO SACCHARIDE DERIVATIVES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-10-03 — — EP disclosed
US-4372948-A Derivative of saccharide and physiologically active agent containing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-02-08 — — US disclosed
EP-0038195-A1 Phenylamino saccharide derivatives, their production and pharmaceutical compositions containing them KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1981-10-21 — — EP disclosed
US-4080322-A WATER SOLUBLE DYES FOR LEATHER, PAPER, AND NON-WOVEN TEXTILES SANDOZ LTD. (CH) 1978-03-21 — — US 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 (7 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-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 TDP1 2785/4885KMT2A 1979/4885SLC6A2 4868/4885
US-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 TDP1 3839/4885KMT2A 4719/4885SLC6A2 4333/4885
US-11214538-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 TDP1 3839/4885KMT2A 4719/4885SLC6A2 4333/4885
US-10703712-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 TDP1 3839/4885KMT2A 4719/4885SLC6A2 4333/4885
US-10336747-B2 Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells IDO1, IDO2, INMT TDP1 2505/4885KMT2A 772/4885SLC6A2 1309/4885
US-20210002230-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE STING1, IRF3, CGAS TDP1 140/4885KMT2A 4787/4885SLC6A2 4585/4885
US-10745358-B2 Oxoacridinyl acetic acid derivatives and methods of use STING1, IRF3, CGAS TDP1 140/4885KMT2A 4787/4885SLC6A2 4585/4885

“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.

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