SCHEMBL2066638

SCHEMBL2066638

CN(C)c1ccccc1-c1cccc(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
NSD2 O96028 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NAT1 P18440 3/20 0.40
ELANE P08246 1/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2A13 Q16696 1/20 0.36

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
SCHEMBL5490744 0.82 TRIM24 (0.52) AXLTRIM24TRIM33ALDH1A1BRD4
SCHEMBL18076341 0.82 MAPT (0.47) ALDH1A1MAPTNSD2EGFRLMNA
SCHEMBL18640493 0.81 CYP2A6 (0.48) ALDH1A1MAPTNSD2EGFRLMNA
SCHEMBL13250832 0.78 TRIM24 (0.53) AXLTRIM24TRIM33ALDH1A1BRD4
SCHEMBL18640491 0.78 PGR (0.43) TRIM24TRIM33ALDH1A1MAPTCYP2A6
SCHEMBL3479559 0.77 BRD4 (0.47) AXLTRIM24TRIM33ALDH1A1BRD4
Trimethylammonium SCHEMBL27866369 0.77 TRIM24 (0.61) AXLTRIM24TRIM33ALDH1A1BRD4
SCHEMBL6048487 0.76 BACE1 (0.45) AXLTRIM24TRIM33ALDH1A1BRD4
SCHEMBL29700474 0.75 TRIM24 (0.46) AXLTRIM24TRIM33ALDH1A1LMNA
SCHEMBL14650356 0.75 TRIM24 (0.46) AXLTRIM24TRIM33ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 US disclosed
WO-2007081091-A1 RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS AXL 1048/4885TRIM24 4734/4885TRIM33 3567/4885

“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.