SCHEMBL8367483

SCHEMBL8367483

CCS(=O)(=O)c1cnc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 3/20 0.51
ALPL P05186 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 3/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
SLC40A1 Q9NP59 1/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PSIP1 O75475 1/20 0.47
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MGAM O43451 1/20 0.45
AHR P35869 1/20 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
SCHEMBL5484329 0.85 TRPV1 (0.48) RAB9AKMT2AALDH1A1ALPLKDM4E
SCHEMBL5133557 0.83 CA12 (0.69) RAB9AKMT2AALDH1A1ALPLKDM4E
SCHEMBL2377244 0.82 ALDH1A1 (0.54) RAB9AKMT2AALDH1A1ALPLKDM4E
SCHEMBL2295373 0.81 ALDH1A1 (0.48) RAB9AKMT2AALDH1A1ALPLKDM4E
SCHEMBL29927678 0.80 CA12 (0.47) RAB9AALDH1A1ALPLKDM4ECYP1A2
SCHEMBL8788307 0.79 CA12 (0.69) RAB9AKMT2AALDH1A1ALPLKDM4E
SCHEMBL29927370 0.79 CA12 (0.69) RAB9AKMT2AALDH1A1ALPLKDM4E
SCHEMBL1771001 0.79 CA12 (0.51) RAB9AKMT2AALDH1A1ALPLKDM4E
SCHEMBL10296114 0.79 MGAM (0.51) RAB9AKMT2AALDH1A1ALPLKDM4E
SCHEMBL2377240 0.79 CA12 (0.51) RAB9AKMT2AALDH1A1ALPLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
CN-1169986-A 2.9-diamino-and 2-amino-8-carbamoyl-4-hydroxy-aldanoic acid amide derivatives CIBA GEIGY AG (CH) 1998-01-14 CN disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 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 (1 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-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 RAB9A 3668/4885KMT2A 63/4885ALDH1A1 739/4885

“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.