SCHEMBL835006

SCHEMBL835006

Cc1ccc(CCOc2ccc(C(=O)NC(=Cc3ccc(OC(C)C)cc3)C(=O)NCCO)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
MMP13 P45452 1/20 0.42
SCN5A Q14524 1/20 0.41
SCN2A Q99250 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
SCHEMBL835005 1.00 TDP1 (0.48) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL835004 1.00 TDP1 (0.48) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL12015308 1.00 TDP1 (0.48) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL12015284 0.94 TDP1 (0.53) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL834181 0.93 KMT2A (0.46) TDP1BRD4ALDH1A1TP53HPGD
SCHEMBL10285115 0.93 ALDH1A1 (0.43) TDP1BRD4ALDH1A1TP53HPGD
SCHEMBL835570 0.93 ALDH1A1 (0.51) TDP1BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL834065 0.93 KMT2A (0.46) TDP1BRD4ALDH1A1TP53HPGD
SCHEMBL834180 0.93 KMT2A (0.46) TDP1BRD4ALDH1A1TP53HPGD
SCHEMBL835275 0.93 ALDH1A1 (0.51) 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 6 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
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 EP disclosed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-8143446-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-27 US disclosed
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US disclosed
EP-1880720-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-01-23 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 (2 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-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S TDP1 1470/4885BRD4 2459/4885ALDH1A1 75/4885
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.