SCHEMBL17244263

SCHEMBL17244263

C#CC(=O)c1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 8/20 0.48
ALDH1A1 P00352 8/20 0.48
CFTR P13569 1/20 0.48
KDM4E B2RXH2 4/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MMP2 P08253 1/20 0.41
TSHR P16473 3/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL28578611 0.78 MAPT (0.50) MAPTGAAHSD17B10ALDH1A1CFTR
SCHEMBL28677921 0.76 KDM4E (0.54) MAPTGAAHSD17B10ALDH1A1KDM4E
SCHEMBL4806049 0.76 CES2 (0.60) ALDH1A1RECQLL3MBTL1TSHRTP53
SCHEMBL30725459 0.76 CES2 (0.60) ALDH1A1RECQLL3MBTL1TSHRTP53
SCHEMBL18104841 0.74 NPC1 (0.43) HSD17B10ALDH1A1NPC1RAB9AHPGD
SCHEMBL19332963 0.74 CES2 (0.58) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL11643111 0.74 HPGD (0.46) HSD17B10ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL12204783 0.74 ALDH1A1 (0.39) MAPTALDH1A1KDM4ENPC1L3MBTL1
SCHEMBL112507 0.74 MAPT (0.74) MAPTGAAHSD17B10ALDH1A1CFTR
SCHEMBL1885621 0.74 MAPT (0.60) MAPTGAAHSD17B10ALDH1A1CFTR

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
EP-2942345-B1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES FOR THE TREATMENT OF CANCER COUNCIL SCIENT IND RES (IN) 2018-03-28 EP disclosed
US-9487482-B2 3,4,5-trimethoxystyrylarylaminopropenones as potential anticancer agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-11-08 US disclosed
US-9487482-B2 3,4,5-trimethoxystyrylarylaminopropenones as potential anticancer agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-11-08 US disclosed
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-12 US disclosed
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-12 US disclosed
EP-2942345-A1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES for the treatment of cancer Council of Scientific and Industrial Research (IN) 2015-11-11 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-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS MCL1, HCCS, CASP3 MAPT 4862/4885GAA 3099/4885HSD17B10 160/4885

“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.