SCHEMBL4987904

SCHEMBL4987904

O=C(O)c1cccn(C(c2ccccc2F)c2ccccc2F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
PTGS2 P35354 2/20 0.41
ALB P02768 1/20 0.40
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 2/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
FABP4 P15090 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL4989571 0.83 KMT2A (0.41) CES2CES1PTGS2ALDH1A1KDM4E
SCHEMBL4434050 0.82 PTGS2 (0.41) PTGS2ALDH1A1ALOX15OPRM1OPRD1
SCHEMBL4427312 0.80 ALDH1A1 (0.43) PTGS2ALDH1A1ALOX15OPRM1OPRK1
SCHEMBL4430871 0.78 KDM4E (0.40) PTGS2ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL1944076 0.76 PTGS2 (0.58) PTGS2ALBALDH1A1ALOX15KDM4E
SCHEMBL18302947 0.74 CES2 (0.41) CES2CES1PTGS2ALDH1A1ALOX15
SCHEMBL4991196 0.74 HDAC4 (0.40) CES2CES1OPRM1OPRD1OPRK1
SCHEMBL11634695 0.73 PTGS2 (0.45) PTGS2ALDH1A1ALOX15KDM4ECASP1
SCHEMBL4994701 0.71 KDM4E (0.43) CES2CES1ALDH1A1OPRM1OPRD1
SCHEMBL2621624 0.71 ALDH1A1 (0.48) PTGS2ALDH1A1ALOX15KDM4ECASP1

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 CES2 3338/4885CES1 2506/4885PTGS2 1716/4885

“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.