SCHEMBL5199376

SCHEMBL5199376

CCn1c(C(O)(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
ACSS2 Q9NR19 8/20 0.43
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPK14 Q16539 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
VCP P55072 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5184902 0.90 CYP19A1 (0.43) CYP19A1ACSS2MAPK14MAPK13MAPK12
SCHEMBL5194344 0.88 ACSS2 (0.53) ACSS2
SCHEMBL5198358 0.85 MAPK14 (0.35) CYP19A1ACSS2NR1H2NR1H3MAPK14
SCHEMBL5199146 0.79 MAPK14 (0.40) CYP19A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5199032 0.77 GCGR (0.43) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL5197480 0.77 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5194709 0.76 TEK (0.39) NR1H2NR1H3MAPK14MAPK13MAPK12
SCHEMBL5184567 0.76 NPSR1 (0.39) CYP19A1ACSS2MAPK14CYP3A4MAPK13
SCHEMBL5199808 0.75 OPRL1 (0.38) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5194594 0.74 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP claimed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO claimed
US-20060173048-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2006-08-03 US claimed
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060173048-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2006-08-03 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-20060173048-A1 Imidazole derivatives GRM2, GRM1, GRIN2C CYP19A1 2778/4885ACSS2 1994/4885NR1H2 262/4885

“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.