SCHEMBL6305137

SCHEMBL6305137

NC(=O)c1ccc(OCCO)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
AR P10275 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CHEK2 O96017 1/20 0.43
BCL9 O00512 2/20 0.43
CTNNB1 P35222 2/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42

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 SCHEMBL30460803 0.98 MAPK1 (0.44) MAPK1ARTHRATHRBCHEK2
SCHEMBL25317057 0.85 LMNA (0.60) MAPK1THRATHRBLMNAHTT
SCHEMBL30151541 0.84 MAPK1 (0.50) MAPK1ARTHRATHRBCHEK2
SCHEMBL32682295 0.83 MAPK1 (0.42) MAPK1ARTHRATHRBLMNA
SCHEMBL4898577 0.82 MAPK1 (0.67) MAPK1ARTHRATHRBLMNA
SCHEMBL29524525 0.81 RAB9A (0.47) MAPK1THRATHRBBCL9CTNNB1
SCHEMBL25314928 0.81 RAB9A (0.47) MAPK1THRATHRBBCL9CTNNB1
SCHEMBL4025985 0.81 MAPK1 (0.65) MAPK1CHEK2PDE4APDE4BPDE4C
SCHEMBL4684232 0.81 MAPK1 (0.49) MAPK1THRATHRBCHEK2LMNA
SCHEMBL4687860 0.81 MRGPRX4 (0.46) MAPK1THRATHRBCHEK2LMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115298170-B Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors 诺华股份有限公司 2024-09-27 CN claimed
EP-4121421-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS Novartis AG (CH) 2023-01-25 EP claimed
CN-115298170-A Biaryl derivatives as inhibitors of YAP/TAZ-TEAD protein-protein interactions 诺华股份有限公司 2022-11-04 CN claimed
WO-2021186324-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS AG (CH) 2021-09-23 WO claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
CN-119241481-A Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors 诺华股份有限公司 2025-01-03 CN disclosed
CN-115298170-B Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors 诺华股份有限公司 2024-09-27 CN disclosed
EP-4395769-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A TEAD INHIBITOR AND USES THEREOF FOR THE TREATMENT OF CANCERS Novartis AG (CH) 2024-07-10 EP disclosed
CN-117835978-A Pharmaceutical combinations comprising TEAD inhibitors and their use for cancer treatment 诺华股份有限公司 2024-04-05 CN disclosed
WO-2023031781-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A TEAD INHIBITOR AND USES THEREOF FOR THE TREATMENT OF CANCERS NOVARTIS AG (CH) 2023-03-09 WO disclosed
EP-4121421-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS Novartis AG (CH) 2023-01-25 EP disclosed
CN-115298170-A Biaryl derivatives as inhibitors of YAP/TAZ-TEAD protein-protein interactions 诺华股份有限公司 2022-11-04 CN disclosed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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 (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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 MAPK1 3432/4885AR 1049/4885THRA 260/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 MAPK1 3432/4885AR 1049/4885THRA 260/4885

“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.