SCHEMBL6258541

SCHEMBL6258541

COc1ccc(C(F)(F)F)cc1N(C(N)=O)c1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.40
SCN10A Q9Y5Y9 3/20 0.40
GPBAR1 Q8TDU6 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6249698 0.89 MAPT (0.43) SCN8ASCN10AMAPTHCRTR1HCRTR2
SCHEMBL14760908 0.87 MAPT (0.41) SCN8ASCN10AMAPTHCRTR1HCRTR2
SCHEMBL6364181 0.85 POLQ (0.41) SCN8ASCN10AGPBAR1MAPTHCRTR1
SCHEMBL6959867 0.79 MAPT (0.37) MAPTHCRTR1HCRTR2PTGDR2ERAP1
SCHEMBL13388895 0.78 MAPT (0.43) CYP1A2CYP3A4CYP2C19MAPTHCRTR1
SCHEMBL13388545 0.78 MAPT (0.43) SCN8ASCN10AMAPTHCRTR1HCRTR2
SCHEMBL6552186 0.77 CES2 (0.45)
SCHEMBL6114202 0.76 MAPT (0.43) SCN8ASCN10ACYP1A2CYP3A4CYP2C19
SCHEMBL27151678 0.75 MAPT (0.36) GPBAR1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL1513789 0.74 ERAP1 (0.47) MAPTERAP1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US claimed
WO-2005032551-A1 TREATMENT OF CARDIOVASCULAR DISEASE WITH INHIBITORS OF p38 KINASE SCIOS INC. (US) 2005-04-14 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-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 SCN8A 4593/4885SCN10A 4683/4885GPBAR1 1243/4885

“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.