SCHEMBL198479

SCHEMBL198479

CC(C)(Oc1ccc(OCC(c2c(F)c(F)cc3[nH]c(-c4ccc(Cl)cc4)nc23)C2CCCCC2)nc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.39
KCNH2 Q12809 13/20 0.39
SOAT1 P35610 8/20 0.39
MAP4K4 O95819 2/20 0.35
PDE5A O76074 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
DHODH Q02127 1/20 0.33
PTGES O14684 2/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL198387 0.93 PDE5A (0.38) KCNH2MAP4K4PDE5AMINK1DHODH
SCHEMBL198729 0.92 PPARA (0.37) DGAT1KCNH2SOAT1DHODHPTGES
SCHEMBL198482 0.89 DGAT1 (0.39) DGAT1KCNH2SOAT1MAP4K4PDE5A
SCHEMBL198627 0.83 CHEK2 (0.43) DGAT1KCNH2SOAT1DHODHCYP3A4
SCHEMBL200870 0.82 PPARA (0.38) KCNH2DHODHCYP1A2CYP3A4CYP2D6
SCHEMBL198390 0.81 KCNH2 (0.38) KCNH2MAP4K4PDE5AMINK1MEN1
SCHEMBL198732 0.81 PPARA (0.37) DGAT1KCNH2SOAT1PTGESCYP1A2
SCHEMBL197219 0.74 NR1H4 (0.51) KCNH2CYP3A4CYP2D6
SCHEMBL198480 0.72 PPARA (0.36) DGAT1KCNH2MAP4K4PDE5AMINK1
SCHEMBL198630 0.71 CHEK2 (0.43) DGAT1KCNH2SOAT1CYP3A4CYP2D6

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-8088930-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 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-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES CYP3A7, ECI1, CYP2B6 DGAT1 3259/4885KCNH2 417/4885SOAT1 2074/4885

“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.