SCHEMBL12015286

SCHEMBL12015286

Cc1ccc(CCOc2ccc(C(=O)N/C(=C\c3ccc(OCC(F)F)cc3)C(=O)NCCO)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 2/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
MMP13 P45452 1/20 0.41

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
SCHEMBL833461 0.93 ALDH1A1 (0.50) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL833462 0.93 ALDH1A1 (0.50) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL833460 0.93 ALDH1A1 (0.50) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL12015284 0.93 TDP1 (0.53) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL12015283 0.92 TDP1 (0.48) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL12015301 0.91 TDP1 (0.50) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL835006 0.89 TDP1 (0.48) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL835004 0.89 TDP1 (0.48) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL12015308 0.89 TDP1 (0.48) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL835005 0.89 TDP1 (0.48) TDP1BRD4ALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497397-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-30 US disclosed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 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 (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-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S TDP1 1470/4885BRD4 2459/4885ALDH1A1 75/4885

“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.