SCHEMBL9750167

SCHEMBL9750167

NC(=O)[N]c1cccc(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.57
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
PBRM1 Q86U86 1/20 0.42
DDX3X O00571 1/20 0.42
F2 P00734 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10884508 0.79 NOS1 (0.47) NOS1CYP3A4CASP1RECQLPBRM1
SCHEMBL1515207 0.78 HTR3E (0.66) NOS1CASP1ALDH1A1TDP1HSD17B10
SCHEMBL3676774 0.78 HTR3E (0.66) NOS1CYP3A4ALDH1A1TSHRHTR3E
SCHEMBL1490350 0.78 PARP1 (0.52) ALDH1A1NPC1
SCHEMBL11204149 0.76 NOS1 (0.49) NOS1CYP3A4CASP1RECQLPBRM1
SCHEMBL54470 0.75 HTR3E (0.50) NOS1CYP3A4RECQLALDH1A1TDP1
SCHEMBL14320269 0.75 NOS1 (0.52) NOS1CYP3A4CASP1RECQLPBRM1
SCHEMBL13724064 0.75 NOS1 (0.52) NOS1CYP3A4CASP1RECQLPBRM1
Urea SCHEMBL28858286 0.74 CYP3A4 (0.71) NOS1CYP3A4CASP1RECQLPBRM1
SCHEMBL11373214 0.73 HTR3E (0.69) NOS1RECQLPRSS1ALDH1A1TSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292825-B1 REACTIVE DYES BAYER AG (DE) 1991-08-07 EP claimed
EP-0292825-A2 Reactive dyes BAYER AG (DE) 1988-11-30 EP claimed
US-10095144-B2 Toner and method for manufacturing the same CANON KABUSHIKI KAISHA (JP) 2018-10-09 US disclosed
US-9996018-B2 Toner and method for manufacturing the same CANON KABUSHIKI KAISHA (JP) 2018-06-12 US disclosed
US-20170060015-A1 TONER AND METHOD FOR MANUFACTURING THE SAME CANON KABUSHIKI KAISHA (JP) 2017-03-02 US disclosed
US-20170060013-A1 TONER AND METHOD FOR MANUFACTURING THE SAME CANON KABUSHIKI KAISHA (JP) 2017-03-02 US disclosed
US-9505723-B2 Compound, dispersant and toner CANON KABUSHIKI KAISHA (JP) 2016-11-29 US disclosed
US-20160130233-A1 COMPOUND, DISPERSANT AND TONER CANON FINETECH NISCA INC. (JP) 2016-05-12 US disclosed
US-5093484-A Water soluble; colorfast shades on cotton BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5093484-A Water soluble; colorfast shades on cotton BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
EP-0292825-B1 REACTIVE DYES BAYER AG (DE) 1991-08-07 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-20160130233-A1 COMPOUND, DISPERSANT AND TONER MAPT, TIPRL, PTAR1 NOS1 719/4885CYP3A4 1338/4885CASP1 4714/4885

“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.