SCHEMBL1487964

SCHEMBL1487964

CNc1cccc(NC(C)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
HSD17B10 Q99714 2/20 0.66
CYP1A2 P05177 1/20 0.66
RAB9A P51151 2/20 0.65
POLB P06746 1/20 0.65
NR4A1 P22736 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.62
NAPRT Q6XQN6 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56

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
SCHEMBL18887582 0.94 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL1901172 0.91 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL14338254 0.84 MTNR1B (0.61) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL18814669 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL697192 0.83 GPR35 (0.55) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL4714652 0.83 HSD17B10 (0.71) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL23576901 0.82 HTT (0.63) ALDH1A1HSD17B10RAB9APOLBL3MBTL1
SCHEMBL21310282 0.82 ALDH1A1 (0.63) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL1487963 0.82 ALDH1A1 (0.63) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL16488795 0.82 MEN1 (0.51) ALDH1A1HSD17B10POLBTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 US disclosed
CN-109053523-B Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2022-03-25 CN disclosed
US-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2020-10-29 US disclosed
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN disclosed
US-20200283383-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2020-09-10 US disclosed
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. 2020-01-30 US disclosed
CN-110668988-A Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2020-01-10 CN disclosed
EP-3180326-B1 BENZODIAZEPINE DERIVATIVES AS CCK2/GASTRIN RECEPTOR ANTAGONISTS TRIO MEDICINES LTD (GB) 2019-10-23 EP disclosed
US-20190144382-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2019-05-16 US disclosed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US disclosed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US disclosed
WO-2007002441-A1 METHODS OF USE FOR NON-ATP COMPETITIVE TYROSINE KINASE INHIBITORS TO TREAT PATHOGENIC INFECTION EMORY UNIVERSITY (US) 2007-01-04 WO disclosed
CN-1805923-A Benzamide derivative or salt thereof ASTELLAS PHARMA INC (JP) 2006-07-19 CN disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 EP disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
US-5512663-A Disazo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed
EP-0474039-B1 Ortho-aminoazo compounds BAYER AG (DE) 1994-11-09 EP disclosed
US-5183881-A Chemical intermediate for metallized dyes BAYER AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed
EP-0474039-A1 Ortho-aminoazo compounds BAYER AG (DE) 1992-03-11 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 (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-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HSD17B10 1885/4885CYP1A2 1175/4885
US-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF PARK7, HTT, PRDX5 ALDH1A1 1029/4885HSD17B10 361/4885CYP1A2 545/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HSD17B10 1885/4885CYP1A2 1175/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HSD17B10 1885/4885CYP1A2 1175/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HSD17B10 1885/4885CYP1A2 1175/4885

“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.