SCHEMBL4990302

SCHEMBL4990302

NCCC[C@H](NC(=O)c1cccn(Cc2cccc(I)c2)c1=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
C3AR1 Q16581 1/20 0.51
ATM Q13315 1/20 0.47
BRD4 O60885 2/20 0.47
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 5/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
FOLH1 Q04609 1/20 0.42

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
SCHEMBL5135360 0.89 BRD4 (0.59) CNR1CNR2C3AR1ATMBRD4
SCHEMBL4991600 0.89 BRD4 (0.59) CNR1CNR2C3AR1ATMBRD4
SCHEMBL4995892 0.89 C3AR1 (0.55) CNR1CNR2C3AR1ATMBRD4
SCHEMBL4990837 0.89 KMT2A (0.55) C3AR1ATMBRD4BRD2BRD3
SCHEMBL4992956 0.86 ATM (0.67) C3AR1ATMBRD4BRD2BRD3
SCHEMBL4993431 0.86 C3AR1 (0.58) CNR1CNR2C3AR1BRD4BRD2
SCHEMBL4993655 0.86 CNR1 (0.52) CNR1CNR2C3AR1ATMBRD4
SCHEMBL4990153 0.84 SMN1; SMN2 (0.53) CNR1CNR2C3AR1ATMBRD4
SCHEMBL4993983 0.84 C3AR1 (0.57) CNR1CNR2C3AR1ATMBRD4
SCHEMBL4997113 0.84 C3AR1 (0.54) CNR1CNR2C3AR1BRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US 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 CNR1 27/4885CNR2 42/4885C3AR1 1/4885

“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.