SCHEMBL1853181

SCHEMBL1853181

Cc1ccc(O)c(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
TP53 P04637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
AR P10275 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
CSNK2A1 P68400 1/20 0.42
F11 P03951 1/20 0.42
XDH P47989 1/20 0.41
CYP2A6 P11509 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
AMY1A P0DUB6 1/20 0.39

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
SCHEMBL2614496 0.82 TRPA1 (0.52) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL8264987 0.79 AR (0.56) ARF11XDHESR1ESR2
SCHEMBL1003862 0.78 ALDH1A1 (0.46) ALDH1A1ARCYP2A6FFAR1TSHR
SCHEMBL6895905 0.77 TRPA1 (0.52) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL1121945 0.77 TRPA1 (0.52) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL101714 0.76 TSHR (0.52) TP53TDP1ALOX15HSD17B10ALDH1A1
SCHEMBL30509593 0.76 TSHR (0.52) TP53TDP1ALOX15HSD17B10ALDH1A1
SCHEMBL3478696 0.76 GRM2 (0.48) ALDH1A1ARCYP2A6FFAR1TSHR
SCHEMBL1267040 0.76 ESR2 (0.44) ARXDHESR1ESR2SNCA
Bromide SCHEMBL28616522 0.74 ESR2 (0.43) ARXDHESR1ESR2SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459929-B2 GPCR receptor agonists, pharmaceutical compositions comprising the same, and methods for their use CARMOT THERAPEUTICS INC. (US) 2025-11-04 US disclosed
US-20250197388-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE EMPRESS THERAPEUTICS, INC. 2025-06-19 US disclosed
EP-4563199-A2 GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE Carmot Therapeutics, Inc. (US) 2025-06-04 EP disclosed
US-20250154137-A1 GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. 2025-05-15 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
EP-4499618-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE Flagship Pioneering Innovations VI, LLC (US) 2025-02-05 EP disclosed
US-20240252492-A1 GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. 2024-08-01 US disclosed
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
CN-114773302-B Benzofuran derivative and medical application thereof 中国药科大学 2024-04-02 CN disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 WO disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
EP-1710233-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-10-11 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO 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
US-3996041-A Novel amidoth ionophosphoric acid esters and their use as herbicides BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 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 (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-20250154137-A1 GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR TRPA1 377/4885TP53 4194/4885TDP1 3659/4885
US-20240252492-A1 GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR TRPA1 377/4885TP53 4194/4885TDP1 3659/4885
US-12459929-B2 GPCR receptor agonists, pharmaceutical compositions comprising the same, and methods for their use GLP1R, GCGR, GIPR TRPA1 377/4885TP53 4194/4885TDP1 3659/4885
US-20250197388-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE SI, VIP, APC TRPA1 587/4885TP53 4391/4885TDP1 4660/4885
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R TRPA1 1772/4885TP53 4679/4885TDP1 2046/4885
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 TRPA1 429/4885TP53 4815/4885TDP1 3997/4885

“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.