SCHEMBL4429494

SCHEMBL4429494

COC(=O)c1cccn(C(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CFTR P13569 1/20 0.43
ATM Q13315 1/20 0.42
SLC6A9 P48067 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
CES2 O00748 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CMA1 P23946 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4986578 0.87 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2CFTRMRGPRX4
SCHEMBL4430634 0.85 CACNA2D1 (0.44) KDM4EALDH1A1SMN1; SMN2ATMSLC6A9
SCHEMBL4993080 0.84 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2MAPTCES2
SCHEMBL4429492 0.83 KDM5A (0.42) KDM4EALDH1A1SLC6A9MAPTTP53
SCHEMBL4429455 0.81 TSHR (0.44) KDM4EALDH1A1CFTRATMMAPT
SCHEMBL4995080 0.78 KDM4E (0.41) KDM4EALDH1A1CFTRATMMAPT
SCHEMBL4429636 0.78 SLC6A4 (0.47) KDM4EALDH1A1SMN1; SMN2CFTRMAPT
SCHEMBL20524639 0.74 PTGS2 (0.51) KDM4EALDH1A1CFTRATMMAPT
SCHEMBL12890135 0.72 ALDH1A1 (0.47) KDM4EALDH1A1CFTRATMMAPT
SCHEMBL18617681 0.72 MAPK1 (0.51) KDM4EALDH1A1CFTRATMMAPT

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 KCNN4 3096/4885KDM4E 2635/4885ALDH1A1 1639/4885

“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.