SCHEMBL3829607

SCHEMBL3829607

CN(C)CCN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1)C(=O)NC1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.38
HDAC6 Q9UBN7 8/20 0.38
HDAC3 O15379 6/20 0.35
HDAC2 Q92769 6/20 0.35
NCOR2 Q9Y618 4/20 0.35
HDAC8 Q9BY41 2/20 0.34
KDM1A O60341 1/20 0.33
ROCK1 Q13464 2/20 0.33
HDAC10 Q969S8 2/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL3834334 0.96 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL1496885 0.94 HDAC1 (0.34) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3835238 0.92 HDAC1 (0.35) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3227901 0.91 ROCK1 (0.34) HDAC1HDAC6ROCK1ROCK2
SCHEMBL4396605 0.91 HDAC1 (0.37) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3232709 0.91 HDAC1 (0.35) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3830936 0.90 HDAC1 (0.38) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3832864 0.90 HDAC1 (0.37) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3835728 0.89 KDM1A (0.36) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3830690 0.89 CASR (0.39) KDM1A

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 3 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-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

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 200/4885HDAC6 363/4885HDAC3 795/4885

“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.