SCHEMBL545945

SCHEMBL545945

NCc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 1/20 0.65
EPHX1 P07099 1/20 0.65
TSHR P16473 1/20 0.65
EPHX2 P34913 1/20 0.65
CDK9 P50750 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
CASP3 P42574 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
HIF1A Q16665 2/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
KMT2A Q03164 5/20 0.58
TAAR1 Q96RJ0 3/20 0.58
SIRT1 Q96EB6 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56

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
SCHEMBL27905664 0.92 RAB9A (0.58) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL17976484 0.87 CFD (0.60) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL17976214 0.85 SMN1; SMN2 (0.61) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL17976392 0.85 ABAT (0.61) TSHRMAOAMAOBHIF1ARAB9A
SCHEMBL4743832 0.84 CA2 (0.67) SMN1; SMN2TP53TSHRMAOBNPC1
SCHEMBL27323392 0.84 KLKB1 (0.50) NPC1RAB9AMAPT
SCHEMBL2891493 0.84 SMN1; SMN2 (0.71) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL17975955 0.83 MEN1 (0.72) SMN1; SMN2TP53TSHRNPC1RAB9A
SCHEMBL11059378 0.83 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL4165246 0.83 MEN1 (0.67) SMN1; SMN2CASP3SENP7MAOAMAOB

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
CN-106496116-A Quinolines containing double aryl urea structures and application thereof 沈阳药科大学 2017-03-15 CN disclosed
WO-2016131789-A1 BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-08-25 WO disclosed
EP-3056202-A1 BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-08-17 EP disclosed
EP-2170834-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBVIE INC (US) 2014-01-08 EP disclosed
US-8110572-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-07 US disclosed
CN-101754955-A Indazole, benzisoxazole and benzisothiazole compounds as protein kinase inhibitors ABBOTT LAB 2010-06-23 CN disclosed
EP-2170834-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-04-07 EP disclosed
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2009012312-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-01-22 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-20090054430-A1 Inhibitors of Protein Kinases AURKC, AURKB, PLK1 SMN1; SMN2 2414/4885TP53 165/4885EPHX1 3536/4885

“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.