SCHEMBL4990153

SCHEMBL4990153

NCCC[C@H](NC(=O)c1cccn(Cc2cc(F)cc(F)c2)c1=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
C3AR1 Q16581 1/20 0.52
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BRD4 O60885 2/20 0.46
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 6/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL4991600 0.89 BRD4 (0.59) SMN1; SMN2C3AR1HTTMEN1KMT2A
SCHEMBL5135360 0.89 BRD4 (0.59) SMN1; SMN2C3AR1HTTMEN1KMT2A
SCHEMBL4997113 0.88 C3AR1 (0.54) SMN1; SMN2C3AR1HTTMEN1KMT2A
SCHEMBL4993983 0.88 C3AR1 (0.57) SMN1; SMN2C3AR1HTTMEN1KMT2A
SCHEMBL4993431 0.85 C3AR1 (0.58) SMN1; SMN2C3AR1HTTMEN1KMT2A
SCHEMBL4993174 0.85 SMN1; SMN2 (0.46) SMN1; SMN2C3AR1HTTMEN1KMT2A
SCHEMBL4996662 0.85 C3AR1 (0.58) SMN1; SMN2C3AR1HTTMEN1KMT2A
SCHEMBL4997823 0.84 KDM4E (0.61) SMN1; SMN2C3AR1HTTKMT2ABRD4
SCHEMBL4990837 0.84 KMT2A (0.55) SMN1; SMN2C3AR1MEN1KMT2ABRD4
SCHEMBL4990302 0.84 CNR1 (0.55) SMN1; SMN2C3AR1HTTMEN1KMT2A

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 SMN1; SMN2 2273/4885C3AR1 1/4885HTT 3297/4885

“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.