SCHEMBL4553728

SCHEMBL4553728

COC(=O)c1cccn(Cc2cccc3ccccc23)c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.53
MAPK9 P45984 3/20 0.53
MAPK10 P53779 3/20 0.53
MAPT P10636 5/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.48
POLB P06746 1/20 0.48
BRD4 O60885 3/20 0.46
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
HTT P42858 1/20 0.45
MCL1 Q07820 1/20 0.44
BAD Q92934 1/20 0.44
LCK P06239 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
SCHEMBL4992594 0.91 MAPT (0.49) MAPK8MAPK9MAPK10MAPTLMNA
SCHEMBL4553258 0.84 MCL1 (0.53) MAPTLMNAKDM4EALDH1A1BRD4
SCHEMBL4997088 0.82 ALDH1A1 (0.57) MAPTLMNAKDM4EALDH1A1THRB
SCHEMBL4987882 0.80 BRD4 (0.57) MAPTLMNAKDM4EALDH1A1THRB
SCHEMBL4438770 0.80 MAPT (0.53) MAPTLMNAKDM4EALDH1A1THRB
SCHEMBL4993706 0.79 SLC6A3 (0.60) MAPTLMNAKDM4EALDH1A1THRB
SCHEMBL1137191 0.79 BRD4 (0.70) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL4425995 0.78 MAPT (0.56) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL4994050 0.77 SLC6A3 (0.60) MAPTLMNAKDM4EALDH1A1THRB
SCHEMBL4436534 0.76 HDAC3 (0.57) MAPTLMNAKDM4EALDH1A1POLB

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 MAPK8 3294/4885MAPK9 4447/4885MAPK10 3637/4885

“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.