SCHEMBL4553258

SCHEMBL4553258

O=C(O)c1cccn(Cc2cccc3ccccc23)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.53
BAD Q92934 7/20 0.53
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
PTGER4 P35408 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL4553891 0.90 MCL1 (0.49) MCL1BADNR4A1NR4A2NR4A3
SCHEMBL4553728 0.84 MAPK8 (0.53) MCL1BADHTTKDM4ELMNA
SCHEMBL4990176 0.80 PTGER3 (0.60) SMN1; SMN2KDM4ELMNABRD4BRD2
SCHEMBL4994006 0.80 HDAC3 (0.56) HTTSMN1; SMN2KDM4ELMNABRD4
SCHEMBL4993830 0.79 BRD4 (0.57) HTTSMN1; SMN2KDM4EMEN1LMNA
SCHEMBL4986527 0.79 BRD4 (0.47) MCL1BADHTTSMN1; SMN2KDM4E
SCHEMBL1137531 0.77 BRD4 (0.70) HTTSMN1; SMN2KDM4EMEN1LMNA
SCHEMBL4994721 0.77 CYP1A2 (0.44) MCL1BADSMN1; SMN2LMNABRD4
SCHEMBL4984192 0.77 RXFP1 (0.60) HTTSMN1; SMN2KDM4EMEN1LMNA
SCHEMBL4993505 0.77 BRD4 (0.48) HTTSMN1; SMN2KDM4ELMNABRD4

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 MCL1 4107/4885BAD 1276/4885NR4A1 488/4885

“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.