SCHEMBL6579952

SCHEMBL6579952

COC(=O)c1ccc(SC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MYC P01106 1/20 0.51
WDR5 P61964 1/20 0.51
TSHR P16473 2/20 0.48
MAPT P10636 7/20 0.47
ALDH1A1 P00352 5/20 0.47
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 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
SCHEMBL3299507 0.81 CA1 (0.56) CA1CA2CA12CA7CA9
Cyanate SCHEMBL28803587 0.80 CA1 (0.64) CA1CA2CA12CA7CA9
SCHEMBL8218934 0.80 LOXL2 (0.47) CA1CA2CA12CA7CA9
Water SCHEMBL22720573 0.79 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL15976681 0.79 HPGD (0.59) CA2TDP1MAPTALDH1A1KMT2A
SCHEMBL6575703 0.78 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL944296 0.78 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL25080824 0.77 KMT2A (0.48) CA1CA2CA12CA7CA9
SCHEMBL13496844 0.77 CA2 (0.39) CA1CA2CA12CA7CA9
SCHEMBL13496845 0.77 CA2 (0.39) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362382-A1 BENZAMIDE DERIVATIVES TRANSLATIONAL DRUG DEVELOPMENT, LLC 2016-12-15 US disclosed
US-20160362382-A1 BENZAMIDE DERIVATIVES TRANSLATIONAL DRUG DEVELOPMENT, LLC 2016-12-15 US disclosed
US-9464059-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
US-9464059-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
US-20150284336-A1 BENZAMIDE DERIVATIVES TRANSLATIONAL DRUG DEVELOPMENT, LLC 2015-10-08 US disclosed
US-9125901-B2 4-(benzimidazol-2-ylamino)benzamide derivatives and salts or solvates thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-09-08 US disclosed
EP-2445345-B1 BENZAMIDE DERIVATIVES TRANSLATIONAL GENOMICS RES INST (US) 2014-08-27 EP disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
US-20120142922-A1 BENZAMIDE DERIVATIVES TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2012-06-07 US disclosed
EP-1120435-B1 APPARATUS AND METHOD FOR PRODUCING RESIN TEIJIN LTD (JP) 2004-05-06 EP disclosed
US-6562936-B1 Resin excellent in hydrolysis and heat stability such as a reduction in molecular weight at the time of molding and color retention and moldability such as releasability and transferability, rarely experiences residence deterioration TEIJIN LIMITED (JP) 2003-05-13 US disclosed
US-6509435-B1 Heat resistance, stability; moldings TEIJIN LIMITED (JP) 2003-01-21 US disclosed
CN-1371399-A Polycarbonate, process for producing the same and molded article thereof TEIJIN LTD (JP) 2002-09-25 CN disclosed
EP-1191049-A1 POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE THEREOF TEIJIN LIMITED (JP) 2002-03-27 EP disclosed
EP-1120435-A1 APPARATUS AND METHOD FOR PRODUCING RESIN TEIJIN LIMITED (JP) 2001-08-01 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 (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-20120142922-A1 BENZAMIDE DERIVATIVES BRDT, BRD3, BRD2 CA1 4581/4885CA2 3907/4885CA12 4057/4885
US-20150284336-A1 BENZAMIDE DERIVATIVES BRDT, BRD3, BRD2 CA1 4581/4885CA2 3907/4885CA12 4057/4885
US-20160362382-A1 BENZAMIDE DERIVATIVES BRDT, BRD3, BRD2 CA1 4581/4885CA2 3907/4885CA12 4057/4885

“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.