SCHEMBL4989845

SCHEMBL4989845

CC(=N)NCCC[C@H](NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ATM Q13315 1/20 0.58
KMT2A Q03164 1/20 0.54
HTT P42858 1/20 0.50
GAA P10253 1/20 0.49
BRD4 O60885 2/20 0.45
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGDR Q13258 1/20 0.44
TGM2 P21980 1/20 0.44
C3AR1 Q16581 1/20 0.43

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
SCHEMBL4993722 0.91 KDM4E (0.58) ALDH1A1KDM4ESMN1; SMN2ATMKMT2A
SCHEMBL4553760 0.88 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2ATMKMT2A
SCHEMBL4986504 0.88 BRD4 (0.58) ALDH1A1KDM4ESMN1; SMN2KMT2AHTT
SCHEMBL4994923 0.87 KMT2A (0.52) ALDH1A1KDM4ESMN1; SMN2KMT2ABRD4
SCHEMBL4993655 0.87 CNR1 (0.52) ALDH1A1KDM4ESMN1; SMN2ATMKMT2A
SCHEMBL4989531 0.87 C3AR1 (0.49) ALDH1A1KDM4ESMN1; SMN2ATMKMT2A
SCHEMBL4992956 0.86 ATM (0.67) ALDH1A1KDM4ESMN1; SMN2ATMKMT2A
SCHEMBL4993174 0.85 SMN1; SMN2 (0.46) ALDH1A1KDM4ESMN1; SMN2KMT2AHTT
SCHEMBL4993908 0.84 C3AR1 (0.50) ALDH1A1KDM4ESMN1; SMN2HTTGAA
SCHEMBL4986830 0.84 BRD4 (0.48) ALDH1A1KDM4ESMN1; SMN2KMT2AHTT

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 ALDH1A1 1639/4885KDM4E 2635/4885SMN1; 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.