SCHEMBL7767264

SCHEMBL7767264

CC(C)(C)c1cc(-c2ccc(Cl)s2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 0.49
HSD17B2 P37059 8/20 0.49
SNCA P37840 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
MIF P14174 1/20 0.47
TYR P14679 1/20 0.47
HTT P42858 1/20 0.47
NFE2L2 Q16236 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
ATP2A2 P16615 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL278872 0.80 HDAC2 (0.44) HSD17B1HSD17B2ALDH1A1MAPTPGR
SCHEMBL15624540 0.79 HSD17B1 (0.61) HSD17B1HSD17B2SNCAMAPTPGR
SCHEMBL31146788 0.78 ALDH1A1 (0.67) HSD17B1HSD17B2ALDH1A1ALOX15NR1I2
SCHEMBL1176397 0.78 ALDH1A1 (0.67) HSD17B1HSD17B2ALDH1A1ALOX15NR1I2
SCHEMBL8369435 0.75 ESR1 (0.54) HSD17B1HSD17B2SNCAMAPTPGR
SCHEMBL6637926 0.72 ERN1 (0.56) HSD17B1HSD17B2SNCA
SCHEMBL10428415 0.72 HSP90AA1 (0.48) HSD17B1HSD17B2ALDH1A1ALOX15NR1I2
SCHEMBL7770514 0.71 ERN1 (0.55) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL2721125 0.71 ALDH1A1 (0.69) HSD17B1HSD17B2ALDH1A1ALOX15NR1I2
SCHEMBL1237149 0.71 ALDH1A1 (0.69) HSD17B1HSD17B2ALDH1A1ALOX15NR1I2

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-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-20100310500-A1 ALKANOYLAMINO 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-20100311794-A1 CYCLOALKYLCARBAMATE 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 HSD17B1 497/4885HSD17B2 581/4885SNCA 4520/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 HSD17B1 497/4885HSD17B2 581/4885SNCA 4520/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 HSD17B1 439/4885HSD17B2 593/4885SNCA 4196/4885

“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.