SCHEMBL4994701

SCHEMBL4994701

O=C(O)c1cccn(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CACNA1A O00555 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
OPRK1 P41145 4/20 0.40
OPRM1 P35372 3/20 0.40
ACP3 P15309 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRL1 P41146 1/20 0.38
CNR2 P34972 1/20 0.37
CYP19A1 P11511 1/20 0.37
SRD5A2 P31213 1/20 0.37

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
SCHEMBL13306590 0.86 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2OPRK1OPRM1
SCHEMBL4430634 0.85 CACNA2D1 (0.44) KDM4EALDH1A1SMN1; SMN2CACNA2D1CACNA1B
SCHEMBL4986578 0.84 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2CACNA1ACACNA2D1
SCHEMBL4430871 0.84 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2CACNA2D1CACNA1B
SCHEMBL4427312 0.84 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2OPRK1OPRM1
SCHEMBL26601277 0.77 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL4991196 0.75 HDAC4 (0.40) OPRK1OPRM1CES2CES1OPRD1
SCHEMBL4989816 0.74 TTR (0.39) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1944076 0.74 PTGS2 (0.58) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL11545249 0.74 ACP3 (0.46) KDM4EALDH1A1CACNA1ACACNA2D1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 KDM4E 2635/4885ALDH1A1 1639/4885SMN1; SMN2 2273/4885

“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.