SCHEMBL4986578

SCHEMBL4986578

COC(=O)c1cccn(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 3/20 0.43
CFTR P13569 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
OPRK1 P41145 1/20 0.40
CYP26A1 O43174 1/20 0.39
CACNA1A O00555 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNB1 Q02641 1/20 0.38
HTT P42858 1/20 0.37
GPR139 Q6DWJ6 3/20 0.37
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL4429494 0.87 KCNN4 (0.44) KDM4EALDH1A1CFTRSMN1; SMN2MRGPRX4
SCHEMBL4429636 0.86 SLC6A4 (0.47) KDM4EALDH1A1CFTRSMN1; SMN2HTT
SCHEMBL4994701 0.84 KDM4E (0.43) KDM4EALDH1A1CFTRSMN1; SMN2OPRK1
SCHEMBL4429455 0.84 TSHR (0.44) KDM4EALDH1A1CFTR
SCHEMBL4995080 0.78 KDM4E (0.41) KDM4EALDH1A1CFTR
SCHEMBL4993080 0.78 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2OPRK1
SCHEMBL20524639 0.77 PTGS2 (0.51) KDM4EALDH1A1CFTR
SCHEMBL13306589 0.76 GABRA1 (0.44) KDM4EALDH1A1SMN1; SMN2CYP3A4MRGPRX4
SCHEMBL4429492 0.76 KDM5A (0.42) KDM4EALDH1A1HTTCYP3A4
SCHEMBL12890135 0.75 ALDH1A1 (0.47) KDM4EALDH1A1CFTR

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 KDM4E 2635/4885ALDH1A1 1639/4885CFTR 1414/4885

“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.