SCHEMBL1482818

SCHEMBL1482818

Fc1cc2nc(-c3cccnc3OCc3ccccc3Cl)n(Cc3cccc(Cl)c3)c2cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
RCE1 Q9Y256 1/20 0.43
KDM4E B2RXH2 6/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 4/20 0.42
MEN1 O00255 3/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
IDO1 P14902 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1482508 0.94 KDM4E (0.48) KMT2AKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1484288 0.86 KMT2A (0.42) KMT2ARCE1KDM4ECYP1A2CYP2C9
SCHEMBL1482654 0.84 DCTPP1 (0.42) KMT2ARCE1KDM4ECYP1A2CYP2C9
SCHEMBL1482784 0.84 FFAR1 (0.45) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1482605 0.83 KMT2A (0.42) KMT2ARCE1KDM4ECYP1A2CYP2C9
SCHEMBL1482614 0.83 RHEB (0.47) KMT2ARCE1KDM4ECYP1A2CYP2C9
SCHEMBL1483388 0.82 ALOX5AP (0.39) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1482727 0.82 MAPT (0.40) KMT2AKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1482932 0.82 KDM4E (0.60) KMT2ARCE1KDM4ECYP1A2CYP2C9
SCHEMBL1482931 0.82 KMT2A (0.41) KMT2ARCE1KDM4ECYP1A2CYP2C9

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 KMT2A 2176/4885RCE1 1657/4885KDM4E 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.