SCHEMBL12413876

SCHEMBL12413876

CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.82
PDK1 Q15118 1/20 0.64
TRPV1 Q8NER1 6/20 0.63
CA9 Q16790 4/20 0.63
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
CA7 P43166 3/20 0.63
RAF1 P04049 2/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
GRM4 Q14833 1/20 0.57

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
SCHEMBL118026 0.90 KDR (1.00) KDRPDK1TRPV1CA9CA1
SCHEMBL29364392 0.90 KDR (1.00) KDRPDK1TRPV1CA9CA1
SCHEMBL11831657 0.88 KDR (0.62) KDRPDK1TRPV1CA9CA1
SCHEMBL19668269 0.86 KDR (0.74) KDRTRPV1CA9CA1CA2
SCHEMBL4548158 0.86 KDR (0.90) KDRPDK1TRPV1CA9CA1
SCHEMBL13145695 0.86 KDR (0.59) KDRPDK1TRPV1CA9CA1
SCHEMBL3644352 0.86 KDR (0.84) KDRPDK1TRPV1CA9CA1
SCHEMBL16477690 0.85 KDR (0.77) KDRPDK1TRPV1CA9CA1
SCHEMBL13004799 0.85 KDR (0.82) KDRPDK1TRPV1CA9CA1
SCHEMBL13556584 0.85 KDR (0.82) KDRPDK1TRPV1CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323813-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2018-05-23 EP disclosed
WO-2018045969-A1 COMPOUND FOR ACTIVATING ADENOSINE MONOPHOSPHATE-ACTIVATED PROTEIN KINASE 法玛科技顾问股份有限公司 2018-03-15 WO disclosed
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-04 US disclosed
US-9216950-B2 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-12-22 US disclosed
US-9090617-B1 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-07-28 US disclosed
US-20150191467-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME RAND BIOSCIENCES (KR) 2015-07-09 US disclosed
US-20140200239-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME NATIONAL TAIWAN UNIVERSITY (TW) 2014-07-17 US disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090118268-A1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS RIEDL BERND 2009-05-07 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 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-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, KAT2A, HTT KDR 4841/4885PDK1 2814/4885TRPV1 3939/4885
US-20150191467-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME SRC, PTPRCAP, GRB2 KDR 1107/4885PDK1 2591/4885TRPV1 3240/4885
US-20090118268-A1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS MAPK1, MAPK8, MAPK3 KDR 2141/4885PDK1 2362/4885TRPV1 3431/4885
US-20140200239-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME SRC, PTPRCAP, GRB2 KDR 1107/4885PDK1 2591/4885TRPV1 3240/4885
US-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 KDR 4705/4885PDK1 2776/4885TRPV1 2152/4885

“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.