SCHEMBL2498331

SCHEMBL2498331

CN1CCN(CCCN(Cc2ccc(C(=O)Nc3ccccc3N)cc2)C(=O)Nc2ccc(F)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
MCHR1 Q99705 4/20 0.47
AVPR1A P37288 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
EGFR P00533 1/20 0.45
HDAC1 Q13547 5/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC3 O15379 2/20 0.44
NCOR2 Q9Y618 1/20 0.44
TSHR P16473 1/20 0.44
CASR P41180 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 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
SCHEMBL2474554 0.95 KDM1A (0.47) KDM1AMCHR1MAPTLMNAEGFR
SCHEMBL2475691 0.94 MCHR1 (0.53) KDM1AMCHR1MAPTHDAC1HSD17B10
SCHEMBL2504729 0.91 KDM1A (0.53) KDM1AMCHR1MAPTHDAC1HSD17B10
SCHEMBL2476586 0.91 HSD17B10 (0.55) KDM1AMAPTLMNAHDAC1HSD17B10
SCHEMBL2475440 0.91 KDM1A (0.54) KDM1AMCHR1MAPTHDAC1HSD17B10
SCHEMBL4224520 0.89 MCHR1 (0.44) KDM1AMCHR1MAPTLMNAHDAC1
SCHEMBL3835983 0.89 HDAC1 (0.46) KDM1AMCHR1MAPTLMNAEGFR
SCHEMBL2477219 0.88 HDAC1 (0.49) KDM1AAVPR1AHDAC1HDAC2HDAC3
SCHEMBL3830942 0.88 KDM1A (0.45) KDM1AMCHR1AVPR1AMAPTLMNA
SCHEMBL4393216 0.88 HDAC1 (0.52) MAPTLMNAHDAC1HSD17B10HDAC2

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
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
EP-2107052-B1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2011-10-12 EP 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 KDM1A 1117/4885MCHR1 2116/4885AVPR1A 1398/4885

“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.