SCHEMBL3831005

SCHEMBL3831005

Nc1ccccc1NC(=O)c1ccc(CN(CCc2ccncc2)C(=O)Nc2ccc(F)c(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.53
HDAC3 O15379 4/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
ROCK1 Q13464 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
NAMPT P43490 1/20 0.45

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
SCHEMBL2504836 0.94 HDAC1 (0.57) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL3834824 0.87 HDAC1 (0.57) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL2474787 0.86 HDAC1 (0.44) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL2477359 0.86 HDAC1 (0.55) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL2474110 0.86 HDAC1 (0.55) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL2477479 0.85 HDAC1 (0.53) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL2475721 0.84 HDAC1 (0.53) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL2474554 0.80 KDM1A (0.47) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL2475691 0.80 MCHR1 (0.53) HDAC1HDAC3HDAC6HDAC2NCOR2
SCHEMBL2474808 0.80 ALDH1A1 (0.54) HDAC1HDAC3HDAC6HDAC2HDAC4

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-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed
EP-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 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-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE UACA, SLC14A1, ARG2 HDAC1 200/4885HDAC3 795/4885HDAC6 363/4885

“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.