SCHEMBL12015302

SCHEMBL12015302

Cc1ccc(/C=C(\NC(=O)c2ccc(OCCc3ccc(Cl)cc3)cc2)C(=O)NCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 3/20 0.53
KDM4E B2RXH2 2/20 0.48
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RAD52 P43351 1/20 0.46
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL12015282 1.00 TDP1 (0.55) TDP1KMT2ANPC1KDM4EBRD4
SCHEMBL833363 0.95 NPC1 (0.54) TDP1KMT2ANPC1KDM4EBRD4
SCHEMBL12015284 0.95 TDP1 (0.53) TDP1KMT2ANPC1KDM4EBRD4
SCHEMBL833772 0.95 NPC1 (0.54) TDP1KMT2ANPC1KDM4EBRD4
SCHEMBL833362 0.95 NPC1 (0.54) TDP1KMT2ANPC1KDM4EBRD4
SCHEMBL833002 0.93 NPC1 (0.52) TDP1KMT2ANPC1KDM4EALDH1A1
SCHEMBL833905 0.93 NPC1 (0.61) TDP1KMT2ANPC1KDM4EBRD4
SCHEMBL833906 0.93 NPC1 (0.61) TDP1KMT2ANPC1KDM4EBRD4
SCHEMBL833003 0.93 NPC1 (0.52) TDP1KMT2ANPC1KDM4EALDH1A1
SCHEMBL833907 0.93 NPC1 (0.61) TDP1KMT2ANPC1KDM4EBRD4

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 1470/4885KMT2A 4205/4885NPC1 2722/4885

“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.