SCHEMBL1614434

SCHEMBL1614434

COc1cc(C#N)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
SLC22A12 Q96S37 2/20 0.54
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
AR P10275 3/20 0.46
XDH P47989 1/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
TRPM4 Q8TD43 1/20 0.42
MAP2K1 Q02750 1/20 0.42
USP2 O75604 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL546183 0.86 AR (0.50) ALDH1A1SLC22A12KDM4EHPGDAR
SCHEMBL7291041 0.86 AR (0.46) ALDH1A1SLC22A12KDM4EHPGDAR
SCHEMBL5901049 0.85 PARP15 (0.47) ALDH1A1SLC22A12ARMAPTUSP2
SCHEMBL5653240 0.85 AR (0.45) ALDH1A1SLC22A12ARMAPTUSP2
Hydrochloric Acid SCHEMBL10984138 0.85 AR (0.49) ALDH1A1SLC22A12KDM4EHPGDAR
SCHEMBL1613328 0.85 AR (0.45) SLC22A12KDM4EAR
SCHEMBL3138892 0.84 SLC22A12 (0.66) ALDH1A1SLC22A12KDM4EHPGDXDH
Hydrochloric Acid SCHEMBL5900904 0.83 PARP15 (0.46) ALDH1A1SLC22A12ARMAPTUSP2
SCHEMBL17293972 0.82 ALDH1A1 (0.50) ALDH1A1SLC22A12KDM4EXDHHTT
SCHEMBL13851552 0.82 HTR2A (0.43) ALDH1A1SLC22A12ARMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040475-A Compounds as WRN inhibitors and uses thereof 南京圣和药业股份有限公司 2025-05-27 CN disclosed
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
WO-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 US disclosed
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 CN disclosed
WO-2021254896-A1 PROCESS FOR PREPARING (4S)-4-(4-CYANO-2-METHOXYPHENYL)-5-ETHOXY-2,8-DIMETHYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINE-3-CARBOXAMIDE ENABLED BY A CATALYTIC ASYMMETRIC HANTZSCH ESTER REDUCTION BAYER AKTIENGESELLSCHAFT (DE) 2021-12-23 WO disclosed
WO-2021045879-A1 SYNTHESIS OF DEUTERATED ALDEHYDES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-03-11 WO disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed
US-4722929-A Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same DR. KARL THOMAE GMBH (DE) 1988-02-02 US disclosed
US-4710510-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-12-01 US disclosed
US-4696931-A CARDIOVASCULAR DISORDERS, CARDIOTONIC AGENTS DR. KARL THOMAE GMBH (DE) 1987-09-29 US disclosed
US-4656171-A 2-phenyl-imidazo-pyrazines, useful as cardiotonics DR. KARL THOMAE GMBH (DE) 1987-04-07 US disclosed
EP-0186010-A1 Pyrrolo benzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1986-07-02 EP disclosed
US-4582837-A Imidazo[4,5-b] and [4,5-c]pyridine derivatives having cardiotonic activity DR. KARL THOMAE GMBH (DE) 1986-04-15 US disclosed
EP-0166609-A2 Aryl derivatives of heterobicyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-01-02 EP disclosed
EP-0149200-A1 Novel 2-pnenyl-imidazoles, their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 EP disclosed
EP-0148438-A2 Imidazole derivatives, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1985-07-17 EP disclosed
EP-0098448-A2 Imidazole derivatives, their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1984-01-18 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 (2 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-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 ALDH1A1 1904/4885SLC22A12 2204/4885KDM4E 1401/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 ALDH1A1 1904/4885SLC22A12 2204/4885KDM4E 1401/4885

“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.