SCHEMBL4433936

SCHEMBL4433936

O=C(O)c1cccn(-c2ccc(-c3ccccc3)cc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.50
ATM Q13315 1/20 0.50
DHODH Q02127 4/20 0.47
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.45
NOTUM Q6P988 1/20 0.44
LMNA P02545 1/20 0.43
ACMSD Q8TDX5 3/20 0.42
HNF4A P41235 2/20 0.42
DHFR P00374 1/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
CASP1 P29466 1/20 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
SCHEMBL1137068 0.90 KDM4E (0.54) ATMPOLBAPEX1TDP1L3MBTL1
SCHEMBL10517562 0.85 ESR1 (0.46) POLBAPEX1TDP1L3MBTL1KDM4E
SCHEMBL26601369 0.83 AKR1C3 (0.49) POLBAPEX1TDP1L3MBTL1KDM4E
SCHEMBL26601309 0.83 NR4A1 (0.49) ATMPOLBAPEX1TDP1L3MBTL1
SCHEMBL362582 0.83 LMNA (0.57) POLBAPEX1TDP1L3MBTL1KDM4E
SCHEMBL26601277 0.81 KDM4E (0.47) POLBAPEX1TDP1L3MBTL1KDM4E
SCHEMBL25233228 0.80 RIPK3 (0.45) POLBAPEX1TDP1L3MBTL1KDM4E
SCHEMBL4430908 0.80 ALDH1A1 (0.51) ATMPOLBAPEX1TDP1L3MBTL1
SCHEMBL25534175 0.79 POLB (0.41) ATMPOLBAPEX1TDP1L3MBTL1
SCHEMBL25235077 0.78 POLB (0.41) POLBAPEX1TDP1L3MBTL1KDM4E

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 CDC25B 3206/4885ATM 4271/4885DHODH 3812/4885

“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.