SCHEMBL4559600

SCHEMBL4559600

Fc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cn1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 10/20 0.55
▸ DGAT1 O75907 10/20 0.52
▸ KCNH2 Q12809 7/20 0.51
▸ SOAT1 P35610 4/20 0.47

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
SCHEMBL10326024 0.95 NPBWR1 (0.62) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL14971553 0.88 NPBWR1 (0.52) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL10326325 0.86 NPBWR1 (0.55) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL4566490 0.85 NPC1 (0.60) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL15245140 0.83 DGAT1 (0.67) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL15231306 0.82 DGAT1 (0.61) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL15626605 0.81 NPC1 (0.50) NPBWR1
SCHEMBL1687838 0.81 NPC1 (0.58) DGAT1KCNH2SOAT1
SCHEMBL15231864 0.81 NPBWR1 (0.84) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL15245185 0.81 DGAT1 (0.63) NPBWR1DGAT1KCNH2SOAT1

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
US-20140088124-A1 IMIDAZOLE DERIVATIVES INTERVET INC. 2014-03-27 — — US disclosed
US-20140088124-A1 IMIDAZOLE DERIVATIVES INTERVET INC. 2014-03-27 — — US disclosed
WO-2012164071-A1 IMIDAZOLE DERIVATIVES INTERVET INTERNATIONAL B.V. (NL) 2012-12-06 — — WO disclosed
WO-2012164071-A1 IMIDAZOLE DERIVATIVES INTERVET INTERNATIONAL B.V. (NL) 2012-12-06 — — WO disclosed
WO-2012064569-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-05-18 — — WO disclosed
WO-2012009217-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — 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-20140088124-A1 IMIDAZOLE DERIVATIVES DGAT1, DGAT2, SOAT1 NPBWR1 1272/4885DGAT1 1/4885KCNH2 2689/4885

“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.

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