SCHEMBL4427312

SCHEMBL4427312

O=C(O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
SRC P12931 1/20 0.39
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL4430871 0.87 KDM4E (0.40) ALDH1A1MAPTKDM4ECASP1CASP7
SCHEMBL4991196 0.84 HDAC4 (0.40) OPRM1OPRK1OPRL1METTL3METTL14
SCHEMBL4994701 0.84 KDM4E (0.43) ALDH1A1KDM4EHSD17B10OPRM1OPRK1
SCHEMBL4991582 0.84 POLB (0.42) ALDH1A1MAPTKDM4EHSD17B10POLB
SCHEMBL27772090 0.83 ALDH1A1 (0.41) ALDH1A1ALOX15MAPTHDAC8KDM4E
SCHEMBL2621625 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15MAPTHDAC8KDM4E
SCHEMBL1137260 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15MAPTHDAC8KDM4E
SCHEMBL2621624 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15MAPTHDAC8KDM4E
SCHEMBL4429455 0.83 TSHR (0.44) ALDH1A1ALOX15MAPTKDM4EHSD17B10
SCHEMBL4989816 0.83 TTR (0.39) ALDH1A1ALOX15MAPTKDM4ECASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN disclosed
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
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US 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
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 ALDH1A1 1639/4885ALOX15 345/4885MAPT 4654/4885

“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.