SCHEMBL4430634

SCHEMBL4430634

O=C(O)c1cccn(C(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNA1C Q13936 1/20 0.44
CES2 O00748 1/20 0.43
ACP3 P15309 1/20 0.43
ATM Q13315 1/20 0.42
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CMA1 P23946 1/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
OPRL1 P41146 3/20 0.41
SLC6A9 P48067 1/20 0.41
GRIK1 P39086 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL4429494 0.85 KCNN4 (0.44) CES2ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL4994701 0.85 KDM4E (0.43) CACNA2D1CACNA1BCACNB1CACNA1CCES2
SCHEMBL4991196 0.83 HDAC4 (0.40) CES2NOTUMOPRM1OPRD1OPRK1
SCHEMBL4427312 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2OPRM1OPRK1
SCHEMBL4991582 0.80 POLB (0.42) ACP3NOTUMALDH1A1KDM4EOPRM1
SCHEMBL13306590 0.75 KDM4E (0.42) CES2ACP3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4430871 0.75 KDM4E (0.40) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL4137779 0.75 NOTUM (0.53) ATMNOTUMALDH1A1KDM4ESMN1; SMN2
SCHEMBL4989816 0.74 TTR (0.39) ALDH1A1KDM4EGAALMNATTR
SCHEMBL4997689 0.72 ATM (0.76) ATMALDH1A1KDM4ESMN1; SMN2CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO 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 CACNA2D1 4114/4885CACNA1B 3309/4885CACNB1 2887/4885

“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.