SCHEMBL424764

SCHEMBL424764

Clc1ccc2sc(CBr)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
CYP2A6 P11509 6/20 0.36
ASIC3 Q9UHC3 1/20 0.36
NR1D1 P20393 1/20 0.35
NR1H3 Q13133 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
PSMB8 P28062 1/20 0.34
CYP2C19 P33261 1/20 0.34
CMA1 P23946 1/20 0.34
PPARA Q07869 1/20 0.34
AGXT P21549 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
SCHEMBL16414423 0.85 AKR1B1 (0.38) AKR1B1LOXL2CYP2A6ASIC3NR1D1
SCHEMBL1456284 0.85 CYP2A6 (0.36) LOXL2CYP2A6ASIC3NR1D1NR1H3
SCHEMBL2080656 0.82 AKR1B1 (0.40) AKR1B1LOXL2CYP2A6ASIC3NR1D1
SCHEMBL11485426 0.81 CYP2A6 (0.58) AKR1B1LOXL2CYP2A6ASIC3SMN1; SMN2
SCHEMBL3402925 0.81 CYP2A6 (0.58) AKR1B1LOXL2CYP2A6ASIC3SMN1; SMN2
SCHEMBL2090663 0.81 CYP2A6 (0.40) AKR1B1LOXL2CYP2A6ASIC3NR1D1
SCHEMBL2094705 0.81 AKR1B1 (0.41) AKR1B1LOXL2CYP2A6ASIC3SMN1; SMN2
SCHEMBL2056139 0.81 AKR1B1 (0.39) AKR1B1LOXL2CYP2A6ASIC3SMN1; SMN2
SCHEMBL5542366 0.79 AKR1B1 (0.36) AKR1B1LOXL2CYP2A6ASIC3SMN1; SMN2
SCHEMBL31095721 0.78 HSP90AA1 (0.49) AKR1B1LOXL2CYP2A6ASIC3KDM4E

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
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
EP-3063141-B1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2018-02-28 EP disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
WO-2015065937-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2015-05-07 WO disclosed
WO-2015014993-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-02-05 WO disclosed
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
US-20040009976-A1 Hypoglycemic imidazoline compounds TAKEUCHI KUMIKO (US) 2004-01-15 US disclosed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 EP disclosed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 US disclosed
WO-1999032482-A1 HYPOGLYCEMIC IMIDAZOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-07-01 WO disclosed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 EP disclosed
EP-0151477-B1 1H-IMIDAZOLE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FERRER INTERNACIONAL, S.A. (ES) 1990-09-12 EP disclosed
EP-0151477-A2 1H-Imidazole derivatives, a process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1985-08-14 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 (4 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-20040009976-A1 Hypoglycemic imidazoline compounds GPR119, IAPP, GLP1R AKR1B1 984/4885LOXL2 4801/4885CYP2A6 2270/4885
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 AKR1B1 1045/4885LOXL2 1132/4885CYP2A6 183/4885
US-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 AKR1B1 4644/4885LOXL2 3227/4885CYP2A6 3389/4885
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 AKR1B1 1526/4885LOXL2 1019/4885CYP2A6 2107/4885

“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.