SCHEMBL834917

SCHEMBL834917

CCc1ccc(Oc2ccc(C3=NCC(=O)O3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPBWR1 P48145 2/20 0.36
MCHR1 Q99705 2/20 0.36
CHEK2 O96017 1/20 0.36
MAPT P10636 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 1/20 0.34
S1PR1 P21453 1/20 0.34
KDR P35968 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL16933880 0.72 S1PR1 (0.46) NPC1RAB9ASMN1; SMN2CHEK2MAPT
SCHEMBL475215 0.70 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL8925998 0.70 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL17512909 0.70 USP1 (0.37) NPC1RAB9ANOTUMSMN1; SMN2
SCHEMBL10448626 0.69 NOTUM (0.41) NPC1RAB9ANOTUMSMN1; SMN2MAPT
SCHEMBL10047774 0.66 TEAD4 (0.48) NPC1RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL20976189 0.66 LTA4H (0.55) RAB9ATP53
SCHEMBL22106308 0.66 TEAD4 (0.48) NPC1RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL8333210 0.66 TP53 (0.52) RAB9ATP53
SCHEMBL13437634 0.66 LTA4H (0.55) RAB9ATP53

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 NPC1 2722/4885RAB9A 2854/4885NOTUM 1789/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S NPC1 2722/4885RAB9A 2854/4885NOTUM 1789/4885

“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.