SCHEMBL4425995

SCHEMBL4425995

COC(=O)c1cccn(Cc2ccc3ccccc3c2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
POLB P06746 1/20 0.56
BRD4 O60885 2/20 0.51
BRD2 P25440 1/20 0.51
BRD3 Q15059 1/20 0.51
BRDT Q58F21 1/20 0.51
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4433121 0.84 BRD4 (0.52) MAPTPOLBBRD4BRD2BRD3
SCHEMBL1137191 0.84 BRD4 (0.70) MAPTPOLBBRD4BRD2BRD3
SCHEMBL13306800 0.82 MAPT (0.56) MAPTPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4983592 0.82 BRD4 (0.67) MAPTPOLBBRD4BRD2BRD3
SCHEMBL4992963 0.82 BRD4 (0.60) MAPTPOLBBRD4BRD2BRD3
SCHEMBL4817512 0.82 CNR1 (0.59) MAPTPOLBBRD4BRD2BRD3
SCHEMBL4993706 0.82 SLC6A3 (0.60) MAPTPOLBBRD4BRD2BRD3
SCHEMBL4990920 0.81 MAPT (0.61) MAPTPOLBBRD4BRD2BRD3
SCHEMBL4997385 0.81 MAPT (0.61) MAPTPOLBBRD4BRD2BRD3
SCHEMBL1137560 0.81 PTGER4 (0.47) MAPTPOLBSLC6A2SLC6A4SLC6A3

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 MAPT 4654/4885POLB 4248/4885BRD4 2776/4885

“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.