SCHEMBL3770697

SCHEMBL3770697

Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(NC(=O)C2(N)CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 11/20 0.60
HDAC1 Q13547 14/20 0.55
HDAC3 O15379 9/20 0.55
KCNH2 Q12809 1/20 0.52
NCOR2 Q9Y618 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL3770864 0.99 HDAC2 (0.61) HDAC2HDAC1HDAC3KCNH2NCOR2
SCHEMBL3764529 0.97 HDAC2 (0.61) HDAC2HDAC1HDAC3KCNH2NCOR2
SCHEMBL3760016 0.95 HDAC2 (0.63) HDAC2HDAC1HDAC3KCNH2NCOR2
SCHEMBL7767369 0.90 HDAC3 (0.60) HDAC2HDAC1HDAC3KCNH2
SCHEMBL15397948 0.81 HDAC2 (0.76) HDAC2HDAC1HDAC3NCOR2PTPN1
SCHEMBL3769890 0.80 HDAC1 (0.73) HDAC2HDAC1HDAC3KCNH2
SCHEMBL31075519 0.79 HDAC1 (0.51) HDAC1
SCHEMBL3764431 0.78 HDAC1 (0.52) HDAC2HDAC1HDAC3KCNH2NCOR2
SCHEMBL3766669 0.78 HDAC2 (0.53) HDAC2HDAC1HDAC3KCNH2NCOR2
SCHEMBL28848243 0.78 HDAC1 (0.52) HDAC1

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
EP-2440517-B1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2014-03-26 EP disclosed
EP-2440517-B1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2014-03-26 EP 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-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
WO-2010144378-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO 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-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 (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 HDAC2 4/4885HDAC1 1/4885HDAC3 3/4885

“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.