SCHEMBL4993722

SCHEMBL4993722

CC(=N)NCCC[C@H](NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 6/20 0.51
HTT P42858 1/20 0.48
GAA P10253 1/20 0.47
BRD4 O60885 2/20 0.47
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ATM Q13315 1/20 0.45
C3AR1 Q16581 1/20 0.45
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.42
PTGER4 P35408 1/20 0.41
PTGDR Q13258 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
SCHEMBL4989845 0.91 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4986504 0.90 BRD4 (0.58) KDM4EALDH1A1SMN1; SMN2HTTBRD4
SCHEMBL4987936 0.89 C3AR1 (0.51) KDM4EALDH1A1SMN1; SMN2HTTBRD4
SCHEMBL4430898 0.87 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4986830 0.86 BRD4 (0.48) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4993174 0.86 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4997823 0.86 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4986322 0.85 C3AR1 (0.52) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4994923 0.84 KMT2A (0.52) KDM4EALDH1A1SMN1; SMN2BRD4POLB
SCHEMBL4993908 0.84 C3AR1 (0.50) KDM4EALDH1A1SMN1; SMN2HTTGAA

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
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
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 KDM4E 2635/4885ALDH1A1 1639/4885SMN1; SMN2 2273/4885

“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.