SCHEMBL1483097

SCHEMBL1483097

CCCCCn1c(-c2ccc(Cl)cc2OCc2ccc(C#N)cc2F)nc2cc(F)c(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.36
MAPK14 Q16539 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CNR1 P21554 1/20 0.34
PRKDC P78527 1/20 0.34
PDE2A O00408 3/20 0.34
CYP11B2 P19099 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
GLP1R P43220 3/20 0.33
AGER Q15109 1/20 0.33

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
SCHEMBL1482624 0.88 MAPK14 (0.37) SLC6A4MAPK14PDE10ACNR1PRKDC
SCHEMBL1482694 0.84 NR1H4 (0.37) SLC6A4MAPK14PDE10ACNR1GLP1R
SCHEMBL1482840 0.84 CYP11B2 (0.34) MAPK14KDM4ELMNACNR1PRKDC
SCHEMBL1482276 0.83 NR1H4 (0.43) SLC6A4PDE10AGLP1R
SCHEMBL1482050 0.82 NR1H4 (0.44) SLC6A4PDE10AGLP1R
SCHEMBL1484022 0.81 NR1H4 (0.34) KDM4ELMNAPDE2ACYP11B2GLP1R
SCHEMBL1482279 0.81 GLP1R (0.42) PDE10AGLP1R
SCHEMBL1484224 0.80 ALOX5AP (0.34) MAPK14CNR1PRKDCCYP11B2FNTA
SCHEMBL1482411 0.80 TP53 (0.46) KDM4ELMNACYP11B2
SCHEMBL1482680 0.80 MDM2 (0.39) SLC6A4KDM4ELMNACNR1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP disclosed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 SLC6A4 2832/4885MAPK14 3965/4885KDM4E 1791/4885

“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.