SCHEMBL12553333

SCHEMBL12553333

O=COc1ccc(S)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL6454577 0.86 ALDH1A1 (0.38) ALDH1A1CYP2A6
SCHEMBL5616188 0.79 ALDH1A1 (0.31) ALDH1A1CYP2A6
SCHEMBL9809027 0.78 ALDH1A1 (0.41) ALDH1A1
SCHEMBL17297207 0.78 DRD1 (0.40) ALDH1A1CYP2A6
SCHEMBL5049780 0.78 ALDH1A1 (0.41) ALDH1A1
SCHEMBL308378 0.74 MEN1 (0.50) ALDH1A1
SCHEMBL95902 0.74 ACHE (0.48) ALDH1A1CYP2A6
SCHEMBL21515006 0.74 ALDH1A1 (0.31) ALDH1A1CYP2A6
SCHEMBL95870 0.74 NFE2L2 (0.41) ALDH1A1
SCHEMBL14605389 0.74 IDO1 (0.33) IDO1

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-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-29 US disclosed
US-9242996-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 US disclosed
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 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 (4 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-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 IDO1 1640/4885ALDH1A1 2959/4885CYP2A6 3360/4885
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS FCGR1A, FCGR2A, FCGR3B IDO1 1340/4885ALDH1A1 3832/4885CYP2A6 1198/4885
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 IDO1 1640/4885ALDH1A1 2959/4885CYP2A6 3360/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 IDO1 1640/4885ALDH1A1 2959/4885CYP2A6 3360/4885

“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.