SCHEMBL1189085

SCHEMBL1189085

COC(=O)c1cccc(Br)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 2/20 0.56
CFTR P13569 1/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA5A P35218 1/20 0.50
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
SLC6A3 Q01959 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ATM Q13315 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 4/20 0.44
MAPT P10636 3/20 0.44

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
SCHEMBL19991850 0.93 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRKMT2AMEN1
SCHEMBL2895994 0.86 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRKMT2AMEN1
SCHEMBL25095928 0.83 KDM4E (0.49) ALDH1A1HSD17B10CFTRKMT2AMEN1
SCHEMBL30217815 0.83 KDM4E (0.49) ALDH1A1HSD17B10CFTRKMT2AMEN1
SCHEMBL29279663 0.81 TSHR (0.52) ALDH1A1HSD17B10CFTRKMT2AMEN1
SCHEMBL31589985 0.81 ALDH1A1 (0.71) ALDH1A1HSD17B10CFTRKMT2AMEN1
SCHEMBL505249 0.81 ALDH1A1 (0.71) ALDH1A1HSD17B10CFTRKMT2AMEN1
SCHEMBL1188290 0.81 ALDH1A1 (0.60) ALDH1A1HSD17B10KMT2AMEN1CYP1A2
SCHEMBL17707767 0.81 NPC1 (0.49) ALDH1A1HSD17B10KMT2AMEN1CYP1A2
SCHEMBL23659 0.80 TSHR (0.61) ALDH1A1HSD17B10CFTRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258314-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2025-03-25 US disclosed
US-12110293-B2 Substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-10-08 US disclosed
CN-113637005-B KRAS inhibitors for cancer treatment 泰励生物科技(上海)有限公司 2024-05-24 CN disclosed
WO-2024062363-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS CBL-B INHIBITORS GLENMARK PHARMACEUTICALS LTD (IN) 2024-03-28 WO disclosed
CN-117756836-A Heteroaryl compound containing boron, nitrogen and silicon, organic electroluminescent device and display device 阜阳欣奕华材料科技有限公司 2024-03-26 CN disclosed
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 EP disclosed
US-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
CN-112673009-B Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 CN disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
EP-1218358-B1 THERAPEUTIC QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2006-09-13 EP disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2006002474-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-12 WO disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 WO disclosed
US-20050065160-A1 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2005-03-24 US disclosed
EP-1218358-A1 THERAPEUTIC QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2002-07-03 EP disclosed
US-6399603-B1 QUINAZOLINES; RETARDING APOPTOSIS IN CELLS; INHIBITING CLEAVAGE OF PROTEIN SUBSTRATES BY CASPASE-3; CHEMICAL AND HYDROLYTIC STABILITY ASTRAZENECA AB (SE) 2002-06-04 US disclosed
WO-2001021598-A1 THERAPEUTIC QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
US-6187779-B1 ADMINISTERING ANTITUMOR AGENTS TO TREAT COLON CANCER CELL PATHWAYS, INC. 2001-02-13 US disclosed
US-5721238-A ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-24 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 (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-12258314-B2 EBNA1 inhibitors and their method of use EBNA1BP2, MLLT1, PML ALDH1A1 3442/4885HSD17B10 3975/4885CFTR 2871/4885
US-20050065160-A1 Substituted dihydroquinazolines TPMT, TYMP, DPYD ALDH1A1 2784/4885HSD17B10 3738/4885CFTR 2195/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 ALDH1A1 3411/4885HSD17B10 3270/4885CFTR 609/4885
US-12110293-B2 Substituted triazolo quinoxaline derivatives NR3C1, NR3C2, GRK5 ALDH1A1 1871/4885HSD17B10 937/4885CFTR 649/4885

“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.