SCHEMBL4388403

SCHEMBL4388403

COCCC(NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
HDAC1 Q13547 11/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC3 O15379 5/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45

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
SCHEMBL2476312 0.91 NPC1 (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3829655 0.91 NPC1 (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3836235 0.90 NPC1 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2474635 0.89 UTS2R (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2472852 0.89 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2474633 0.87 UTS2R (0.45) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3834611 0.87 KMT2A (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2473661 0.85 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2471054 0.84 MAPK14 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2478981 0.83 NPC1 (0.42) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 2 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

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

“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.