SCHEMBL2642471

SCHEMBL2642471

Cc1cccc(C#N)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
ALDH1A1 P00352 3/20 0.56
TRPA1 O75762 2/20 0.50
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CXCR2 P25025 2/20 0.41
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
ESR2 Q92731 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3032522 0.83 CXCR2 (0.47) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27491094 0.80 ALDH1A1 (0.78) TSHRALDH1A1TRPA1GABRA1GABRB2
Cyanate SCHEMBL27968920 0.78 ALDH1A1 (0.74) TSHRALDH1A1TRPA1GABRA1GABRB2
SCHEMBL2809868 0.77 ALDH1A1 (0.56) TSHRALDH1A1TRPA1GABRA1GABRB2
SCHEMBL6273994 0.77 ALDH1A1 (0.56) TSHRALDH1A1TRPA1GABRA1GABRB2
Water SCHEMBL28111086 0.77 ALDH1A1 (0.93) TSHRALDH1A1TRPA1GABRA1GABRB2
SCHEMBL31609682 0.76 ALDH1A1 (0.52) TSHRALDH1A1TRPA1KDM4EHPGD
SCHEMBL491433 0.76 ALDH1A1 (0.52) TSHRALDH1A1TRPA1KDM4EHPGD
SCHEMBL21173600 0.76 ESR2 (0.52) TSHRALDH1A1KDM4ECXCR2ESR2
SCHEMBL21022697 0.76 TSHR (0.65) TSHRALDH1A1KDM4ECYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279749-A SHP2 inhibitor and composition and application thereof 贝达药业股份有限公司 2022-11-01 CN claimed
US-20250263386-A1 Charged Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2025-08-21 US disclosed
US-20250257076-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS cGAS INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2025-08-14 US disclosed
US-20250197388-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE EMPRESS THERAPEUTICS, INC. 2025-06-19 US disclosed
CN-119487012-A Compounds, pharmaceutical compositions and methods for treating inflammatory bowel disease 旗舰创业创新六公司 2025-02-18 CN disclosed
US-20250049772-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-13 US disclosed
EP-4499618-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE Flagship Pioneering Innovations VI, LLC (US) 2025-02-05 EP disclosed
CN-119118953-A Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2024-12-13 CN disclosed
US-12162851-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2024-12-10 US disclosed
CN-115279731-B Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2024-09-13 CN disclosed
US-6194454-B1 ANTILIPEMIC AGENTS; ANTIDIABETIC AGENTS; DIETETICS; RHEUMATIC DISEASES; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDEPRESSANTS; BONE DISORDERS PFIZER INC. 2001-02-27 US disclosed
EP-1033364-A1 Cyano containing oxamic acids and derivatives as thyroid receptor ligands Pfizer Products Inc. (US) 2000-09-06 EP disclosed
EP-0569795-B1 Sulphonylbenzyl substituted benzo- and pyridopyridones BAYER AG (DE) 1995-04-12 EP disclosed
EP-0569794-A1 Biphenylmethyl-substituted pyridones useful as angiotensin II receptor antagonists. BAYER AG (DE) 1993-11-18 EP disclosed
EP-0569795-A1 Sulphonylbenzyl substituted benzo- and pyridopyridones BAYER AG (DE) 1993-11-18 EP disclosed
US-5198439-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-30 US disclosed
US-5130318-A Hypotensive agents and for treatment of congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-14 US disclosed
EP-0453210-A2 Pyridine derivatives ZENECA LIMITED (GB) 1991-10-23 EP disclosed
EP-0365763-A1 Antiproliferative cyclic compounds AGOURON PHARMACEUTICALS, INC. (US) 1990-05-02 EP disclosed
US-4184013-A Electrochemical storage cell BROWN, BOVERI & CIE AG (DE) 1980-01-15 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 (5 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-12162851-B2 Charged ion channel blockers and methods for use TRPV1, TRPV5, TRPV2 TSHR 3619/4885ALDH1A1 2437/4885TRPA1 10/4885
US-20250263386-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV5, TRPV2 TSHR 3619/4885ALDH1A1 2437/4885TRPA1 10/4885
US-20250049772-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R TSHR 24/4885ALDH1A1 1476/4885TRPA1 1559/4885
US-20250197388-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE SI, VIP, APC TSHR 4822/4885ALDH1A1 3871/4885TRPA1 587/4885
US-20250257076-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS cGAS INHIBITORS CGAS, SSB, FPGS TSHR 3160/4885ALDH1A1 1529/4885TRPA1 3827/4885

“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.