SCHEMBL3539889

SCHEMBL3539889

O=C(O)Nc1ccc2c(c1Cl)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.43
RAB9A P51151 11/20 0.43
CASP3 P42574 3/20 0.43
SENP7 Q9BQF6 3/20 0.43
SMN1; SMN2 Q16637 7/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 3/20 0.41
PRKACA P17612 1/20 0.40
ROCK1 Q13464 1/20 0.40
MEN1 O00255 5/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.39
GRIK1 P39086 1/20 0.39
EDNRA P25101 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11058830 0.82 EDNRA (0.43) NPC1RAB9ACASP3SENP7SMN1; SMN2
SCHEMBL3549192 0.79 NPC1 (0.41) NPC1RAB9ACASP3SENP7SMN1; SMN2
SCHEMBL4029987 0.77 ACVRL1 (0.52) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL4025660 0.77 POLB (0.57) NPC1RAB9ASMN1; SMN2POLBACVRL1
SCHEMBL3242216 0.75 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5723676 0.71 AOC3 (0.49) NPC1RAB9ACASP3SENP7SMN1; SMN2
SCHEMBL5723655 0.71 RAB9A (0.43) NPC1RAB9ACASP3SENP7SMN1; SMN2
SCHEMBL14370481 0.70 AOC3 (0.42) MAPTPRKACAROCK1ACVRL1ALDH1A1
SCHEMBL25082789 0.70 AOC3 (0.42) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL3542790 0.70 MAPT (0.44) NPC1RAB9ACASP3SENP7SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 NPC1 2768/4885RAB9A 1836/4885CASP3 3043/4885

“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.