SCHEMBL3833732

SCHEMBL3833732

Nc1ccccc1NC(=O)c1ccc(C(CCCN2CCOCC2)NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2D6 P10635 1/20 0.51
HDAC3 O15379 4/20 0.47
PIK3CA P42336 2/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
AVPR1A P37288 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL2476882 0.90 HDAC3 (0.51) HDAC1HDAC3PIK3CAHDAC4HDAC7
SCHEMBL2473466 0.89 HDAC1 (0.61) HDAC1HDAC3PIK3CAALDH1A1HDAC4
SCHEMBL2478730 0.88 HDAC1 (0.49) HDAC1HDAC3PIK3CAALDH1A1MAPK1
SCHEMBL2477555 0.87 CD274 (0.47) CYP2C9CYP2D6MAPTALDH1A1MEN1
SCHEMBL4390020 0.87 PIK3CA (0.48) HDAC1HDAC3PIK3CAHDAC4HDAC7
SCHEMBL2477952 0.85 HDAC3 (0.47) HDAC1HDAC3PIK3CAALDH1A1HDAC4
SCHEMBL2474116 0.85 HDAC1 (0.48) HDAC1HDAC3PIK3CAHDAC4HDAC7
SCHEMBL2474349 0.84 EGFR (0.49) HDAC1HDAC3PIK3CAMAPK1HDAC4
SCHEMBL4388408 0.84 HDAC1 (0.54) HDAC1HDAC3PIK3CAMAPTALDH1A1
SCHEMBL2473928 0.84 HDAC1 (0.47) HDAC1HDAC3PIK3CAHDAC4HDAC7

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 200/4885CYP2C9 4579/4885CYP2D6 4419/4885

“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.