SCHEMBL3835566

SCHEMBL3835566

NCCN(Cc1ccc(C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc2c(c1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
TP53 P04637 3/20 0.49
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
HDAC1 Q13547 11/20 0.48
HDAC2 Q92769 9/20 0.48
HDAC3 O15379 6/20 0.48
NCOR2 Q9Y618 3/20 0.48
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ROCK1 Q13464 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44

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
SCHEMBL2500894 0.94 HDAC1 (0.53) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL2474631 0.92 HDAC1 (0.50) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL2472846 0.92 HDAC1 (0.50) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL3835487 0.91 HDAC1 (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL3835948 0.91 HDAC1 (0.54) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL3834609 0.90 KMT2A (0.49) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL3836379 0.90 HDAC1 (0.50) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL3829651 0.89 HDAC1 (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL2471052 0.87 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL3830713 0.86 HDAC1 (0.48) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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 7 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

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 SMN1; SMN2 4637/4885NPC1 989/4885RAB9A 1942/4885

“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.