SCHEMBL6692836

SCHEMBL6692836

FC(F)(F)c1ccc(CNc2ccc(NCc3ccc(C(F)(F)F)cc3)c(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
CNR1 P21554 3/20 0.46
RORC P51449 1/20 0.45
PPARA Q07869 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ASPH Q12797 1/20 0.43
RIOX2 Q8IUF8 1/20 0.43
KDM8 Q8N371 1/20 0.43
P2RX7 Q99572 1/20 0.43
MTOR P42345 1/20 0.43
KCNH2 Q12809 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
ADRA2A P08913 1/20 0.41
CACNA1B Q00975 1/20 0.41
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL30216616 0.84 CYP3A4 (0.52) FFAR1CNR1PPARAKDM4EP2RX7
SCHEMBL6696272 0.82 FFAR1 (0.49) FFAR1PPARAKDM4EASPHRIOX2
SCHEMBL7345712 0.80 FFAR1 (0.68) FFAR1PPARAMTORADRA2ACACNA1B
SCHEMBL23675397 0.77 TMPRSS4 (0.65) P2RX7MTORADRA2A
SCHEMBL30100476 0.77 TMPRSS4 (0.65) P2RX7MTORADRA2A
SCHEMBL6557440 0.76 FFAR1 (0.63) FFAR1PPARAKDM4EMTORCACNA1B
SCHEMBL11936090 0.76 FFAR1 (0.59) FFAR1CACNA1B
SCHEMBL6691557 0.75 FFAR1 (0.54) FFAR1PPARAMTORADRA2ACACNA1B
SCHEMBL31577309 0.75 FFAR1 (0.51) FFAR1PPARAMTORADRA2ACACNA1B
SCHEMBL6693884 0.75 AGER (0.51) PPARAL3MBTL1

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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups 4SC AG (DE) 2004-01-15 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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups PAH, PNMT, OPRM1 FFAR1 1914/4885CNR1 537/4885RORC 1109/4885

“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.