SCHEMBL7770514

SCHEMBL7770514

CC(C)(C)c1cc(-c2cccs2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.55
ALOX5 P09917 3/20 0.49
PTGS1 P23219 3/20 0.49
PTGS2 P35354 3/20 0.49
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.48
MIF P14174 1/20 0.48
TYR P14679 1/20 0.48
HTT P42858 1/20 0.48
NFE2L2 Q16236 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KCNH2 Q12809 1/20 0.47
HDAC1 Q13547 5/20 0.44
HDAC2 Q92769 5/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
CA1 P00915 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
SCHEMBL7057689 0.86 CA2 (0.57) ERN1ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL6068103 0.80 ERN1 (0.64) ERN1ALOX5KCNH2HDAC1HDAC2
SCHEMBL29744559 0.80 ERN1 (0.64) ERN1ALOX5KCNH2HDAC1HDAC2
SCHEMBL278760 0.79 KCNH2 (0.66) ALOX5PTGS1PTGS2KCNH2HDAC1
SCHEMBL1176397 0.79 ALDH1A1 (0.67) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL31146788 0.79 ALDH1A1 (0.67) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL18646041 0.79 CYP1A2 (0.61) ERN1ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL172744 0.79 ERN1 (0.58) ERN1KCNH2HDAC1HDAC2HDAC3
SCHEMBL17049365 0.78 ERN1 (0.62) ERN1ALDH1A1KCNH2HDAC1HDAC2
SCHEMBL19317253 0.77 KCNH2 (0.49) ERN1ALOX5PTGS1PTGS2ALDH1A1

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 9 patents. 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-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-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-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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 (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-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 ERN1 2623/4885ALOX5 2845/4885PTGS1 3041/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 ERN1 2623/4885ALOX5 2845/4885PTGS1 3041/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 ERN1 3796/4885ALOX5 2822/4885PTGS1 2540/4885

“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.