SCHEMBL278872

SCHEMBL278872

CC(C)(C)c1cc(-c2ccc(Cl)s2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 3/20 0.44
PGR P06401 4/20 0.43
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 2/20 0.41
CYP2A6 P11509 1/20 0.38
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
IKBKB O14920 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
APP P05067 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL2754825 0.84 HDAC2 (0.41) HDAC2HDAC1HDAC3PGRHSD17B1
SCHEMBL278994 0.81 HDAC1 (0.45) HDAC2HDAC1HDAC3PGRHSD17B1
SCHEMBL7767264 0.80 HSD17B1 (0.49) PGRHSD17B1HSD17B2CYP2A6ALDH1A1
SCHEMBL15624533 0.79 CYP3A4 (0.55) HDAC2HDAC1HDAC3PGRHSD17B1
SCHEMBL2154357 0.78 PGR (0.50) PGRALDH1A1POLBMAPTPTGS1
SCHEMBL8369437 0.75 HDAC2 (0.46) HDAC2HDAC1HDAC3PGRHSD17B1
Formaldehyde SCHEMBL22802137 0.72 PGR (0.46) HDAC2HDAC1HDAC3PGRALDH1A1
SCHEMBL28788572 0.72 HSD17B1 (0.41) HDAC2HDAC1HDAC3PGRHSD17B1
SCHEMBL278760 0.71 KCNH2 (0.66) HDAC2HDAC1HDAC3PTGS1PTGS2
Sulfur Dioxide SCHEMBL20572991 0.71 PGR (0.45) HDAC2HDAC1HDAC3PGRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-8344018-B2 Oxindolyl inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-01-01 US disclosed
US-8344018-B2 Oxindolyl inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-01-01 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20110135594-A1 OXINDOLYL INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2011-06-09 US disclosed
US-20110135594-A1 OXINDOLYL INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2011-06-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US disclosed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 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 (7 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-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS HDAC1, CDK9, CDK2 HDAC2 16/4885HDAC1 1/4885HDAC3 28/4885
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 HDAC2 12/4885HDAC1 1/4885HDAC3 17/4885
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 HDAC2 5/4885HDAC1 1/4885HDAC3 6/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 HDAC2 5/4885HDAC1 1/4885HDAC3 6/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 HDAC2 4/4885HDAC1 1/4885HDAC3 3/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC2 3/4885HDAC1 1/4885HDAC3 4/4885
US-20110135594-A1 OXINDOLYL INHIBITOR COMPOUNDS HDAC1, HDAC8, HDAC11 HDAC2 6/4885HDAC1 1/4885HDAC3 9/4885

“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.