SCHEMBL2503525

SCHEMBL2503525

COc1ccc(NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)CC(C)(C)CN(C)C)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.48
HDAC1 Q13547 7/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC6 Q9UBN7 3/20 0.45
MCHR1 Q99705 2/20 0.44
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL2474525 0.91 HDAC1 (0.51) NR1H4HDAC1HDAC2HDAC6MCHR1
SCHEMBL2499264 0.89 HDAC1 (0.59) NR1H4HDAC1HDAC2HDAC6MCHR1
SCHEMBL12062726 0.89 NR1H4 (0.47) NR1H4HDAC1HDAC2HDAC6MCHR1
SCHEMBL2471759 0.88 HDAC1 (0.61) NR1H4HDAC1HDAC2HDAC6HDAC3
SCHEMBL3835288 0.88 HDAC1 (0.41) HDAC1HDAC2HDAC6MAPTSMN1; SMN2
SCHEMBL3835091 0.86 KDM1A (0.44) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL2500042 0.86 HDAC1 (0.43) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL3832641 0.85 NPC1 (0.42) HDAC1MCHR1MAPTALDH1A1SMN1; SMN2
SCHEMBL3835228 0.85 RAB9A (0.43) HDAC1MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL2506408 0.84 KMT2A (0.42) HDAC1HDAC2HDAC6ALDH1A1SMN1; SMN2

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 6 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
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
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 NR1H4 1376/4885HDAC1 200/4885HDAC2 129/4885

“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.