SCHEMBL1482508

SCHEMBL1482508

Fc1cc2nc(-c3cccnc3OCc3ccccc3Cl)n(Cc3ccccc3)c2cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 3/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
CYP11B2 P19099 1/20 0.40
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.36
RHEB Q15382 1/20 0.36
PDE6D O43924 1/20 0.35
ALDH2 P05091 1/20 0.35

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
SCHEMBL1482818 0.94 KMT2A (0.43) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1482784 0.90 FFAR1 (0.45) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1483388 0.88 ALOX5AP (0.39) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1482727 0.86 MAPT (0.40) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1482617 0.84 HTR2A (0.42) KDM4ENPSR1ALDH1A1GAARECQL
SCHEMBL1482791 0.83 HTT (0.47) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1482951 0.83 TP53 (0.45) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1482308 0.82 RHEB (0.48) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1482517 0.82 KDM4E (0.47) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1484226 0.81 KDM4E (0.72) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP claimed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO claimed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US claimed
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
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
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
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US 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 KDM4E 1791/4885CYP1A2 43/4885CYP2C9 62/4885

“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.