SCHEMBL3835937

SCHEMBL3835937

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.48
CD274 Q9NZQ7 1/20 0.47
POLB P06746 1/20 0.46
KDM1A O60341 1/20 0.46
SIGMAR1 Q99720 3/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
BCL3 P20749 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL3836221 0.97 POLB (0.48) NAMPTCD274POLBKDM1ASIGMAR1
SCHEMBL2499714 0.95 KDM1A (0.52) NAMPTCD274POLBKDM1AHDAC1
SCHEMBL7998610 0.94 NAMPT (0.45) NAMPTCD274POLBKDM1ASIGMAR1
SCHEMBL2477790 0.92 HSD17B10 (0.49) NAMPTCD274POLBKDM1AHDAC1
SCHEMBL2496709 0.91 HSD17B10 (0.46) NAMPTCD274POLBKDM1AHDAC1
SCHEMBL2476081 0.90 KDM4E (0.46) NAMPTCD274POLBKDM1AHDAC1
SCHEMBL3218367 0.90 USP2 (0.46) NAMPTCD274POLBSIGMAR1ALDH1A1
SCHEMBL2476082 0.89 NAMPT (0.41) NAMPTCD274POLBKDM1ASIGMAR1
SCHEMBL13646279 0.89 NAMPT (0.48) NAMPTPOLBHDAC1HDAC6ALDH1A1
SCHEMBL3228223 0.88 USP2 (0.44) NAMPTCD274POLBKDM1ASIGMAR1

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 5 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-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 NAMPT 3896/4885CD274 4808/4885POLB 4484/4885

“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.