SCHEMBL198481

SCHEMBL198481

CC(C)(Oc1ccc(OCC(C2CCCCC2)C2(c3ccc(Cl)cc3)N=c3cc(F)c(F)cc3=N2)nc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP4K4 O95819 3/20 0.35
PDE5A O76074 1/20 0.35
KCNH2 Q12809 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
LNPEP Q9UIQ6 3/20 0.34
PPARG P37231 5/20 0.34
FABP2 P12104 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PPARD Q03181 5/20 0.33
ACACB O00763 1/20 0.32
DGAT1 O75907 1/20 0.32
CNR1 P21554 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
SCHEMBL198389 0.91 PPARA (0.42) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL198731 0.91 PPARA (0.41) PPARAMEN1CYP1A2CYP3A4MAPT
SCHEMBL198480 0.85 PPARA (0.36) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL198629 0.80 NR1H4 (0.40) CYP3A4CYP2D6KCNH2LNPEP
SCHEMBL200872 0.80 PPARA (0.42) PPARACYP1A2CYP3A4CYP2D6KCNH2
SCHEMBL198730 0.77 PPARA (0.41) PPARACYP1A2CYP3A4ACACBCNR1
SCHEMBL198388 0.75 PPARA (0.42) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL197219 0.74 NR1H4 (0.51) CYP3A4CYP2D6KCNH2
SCHEMBL1843200 0.73 PPARA (0.37) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1837938 0.73 NR1H4 (0.34) PPARALNPEPPPARGPPARD

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 PPARA 322/4885MEN1 2514/4885CYP1A2 54/4885

“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.