SCHEMBL197866

SCHEMBL197866

COc1ccc(C2(C(COc3c(C)cc(C(=O)O)cc3C)C3CCCCC3)N=c3cc(F)c(F)cc3=N2)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.38
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL197865 0.85 NR1H4 (0.37) NR1H4CYP2C9KCNH2POLBTDP1
SCHEMBL1836831 0.79 NR1H4 (0.36) NR1H4POLBTDP1
SCHEMBL1840258 0.79 NR1H4 (0.36) NR1H4
SCHEMBL1841709 0.74 NR1H4 (0.38) NR1H4CYP2C9POLBTDP1FFAR1
SCHEMBL1838285 0.73 NR1H4 (0.37) NR1H4
SCHEMBL197119 0.73 NR1H4 (0.59) NR1H4CYP2C9KCNH2
SCHEMBL1841219 0.73 NR1H4 (0.38) NR1H4CYP2C9KCNH2
SCHEMBL1840602 0.72 NR1H4 (0.36) NR1H4
SCHEMBL1841971 0.70 NR1H4 (0.35) NR1H4
SCHEMBL197864 0.70 NR1H4 (0.39) NR1H4KCNH2FFAR1

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 NR1H4 292/4885CYP2C9 34/4885KCNH2 417/4885

“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.