SCHEMBL3704740

SCHEMBL3704740

Cc1cc(C#N)cc(Br)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.48
ALB P02768 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 2/20 0.46
CYP3A4 P08684 2/20 0.36
ABCC3 O15438 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
ABCB1 P08183 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD1 P21728 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL1182463 0.84 ALDH1A1 (0.50) TTRALBMEN1KMT2AHTT
SCHEMBL2670914 0.84 TTR (0.58) TTRALBMEN1KMT2AHTT
SCHEMBL30464787 0.82 ALDH1A1 (0.48) TTRALBMEN1KMT2AHTT
SCHEMBL25124119 0.78 TTR (0.52) TTRALBMEN1KMT2AHTT
SCHEMBL16936198 0.78 TTR (0.52) TTRALBMEN1KMT2AHTT
SCHEMBL2339085 0.78 ALDH1A1 (0.39) TTRALBMEN1KMT2AHTT
SCHEMBL11436064 0.77 TTR (0.50) TTRALBMEN1KMT2AHTT
SCHEMBL11685893 0.77 ALDH1A1 (0.37) TTRALBMEN1KMT2AHTT
SCHEMBL987538 0.76 MEN1 (0.45) TTRALBMEN1KMT2AHTT
SCHEMBL1145042 0.75 AR (0.44) TTRALBHTTCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969717-B2 Method for producing substituted anthranilic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-15 US disclosed
US-20170217934-A1 METHOD FOR PRODUCING SUBSTITUTED ANTHRANILIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH 2017-08-03 US disclosed
US-9670182-B2 Method for producing substituted anthranilic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-06 US disclosed
US-20160046607-A1 METHOD FOR PRODUCING SUBSTITUTED ANTHRANILIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-18 US disclosed
US-20150011772-A1 METHOD FOR PRODUCING SUBSTITUTED ANTHRANILIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-08 US disclosed
EP-2812310-A1 METHOD FOR PRODUCING SUBSTITUTED ANTHRANILIC ACID DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-12-17 EP disclosed
WO-2013117601-A1 METHOD FOR PRODUCING SUBSTITUTED ANTHRANILIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 WO disclosed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO 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 (3 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-20160046607-A1 METHOD FOR PRODUCING SUBSTITUTED ANTHRANILIC ACID DERIVATIVES NQO2, PAH, ANTXR2 TTR 4118/4885ALB 811/4885MEN1 1189/4885
US-20170217934-A1 METHOD FOR PRODUCING SUBSTITUTED ANTHRANILIC ACID DERIVATIVES NQO2, PAH, ANTXR2 TTR 4118/4885ALB 811/4885MEN1 1189/4885
US-20150011772-A1 METHOD FOR PRODUCING SUBSTITUTED ANTHRANILIC ACID DERIVATIVES NQO2, PAH, ANTXR2 TTR 4118/4885ALB 811/4885MEN1 1189/4885

“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.