SCHEMBL1484288

SCHEMBL1484288

Fc1cc2nc(-c3ccc(Cl)cc3OCc3ccccc3Cl)n(Cc3cccc(Cl)c3)c2cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
RCE1 Q9Y256 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 3/20 0.38
PTGER1 P34995 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.36
SLC6A4 P31645 1/20 0.36
SOS1 Q07889 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CCR2 P41597 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
SCHEMBL1482951 0.95 TP53 (0.45) KMT2ATP53MAPTSMN1; SMN2NPSR1
SCHEMBL1482818 0.86 KMT2A (0.43) KMT2ARCE1TP53MAPTSMN1; SMN2
SCHEMBL1482975 0.86 FFAR4 (0.49) KMT2ATP53PTGER1ALDH1A1KDM4E
SCHEMBL1482892 0.84 KMT2A (0.45) KMT2ARCE1TP53MAPTSMN1; SMN2
SCHEMBL1483153 0.84 KDM4E (0.45) KMT2ASMN1; SMN2NPSR1PTGER1CYP1A2
SCHEMBL1483164 0.83 DHFR (0.44) KMT2ARCE1TP53MAPTSMN1; SMN2
SCHEMBL1482099 0.82 PTGER1 (0.46) PTGER1CYP2C9CCR2
SCHEMBL1483024 0.82 DHFR (0.43) KMT2ARCE1TP53MAPTSMN1; SMN2
SCHEMBL1483013 0.81 NR1H4 (0.46) SLC6A4
SCHEMBL1482809 0.81 DRD2 (0.49) KMT2ARCE1TP53MAPTSMN1; 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 KMT2A 2176/4885RCE1 1657/4885TP53 1762/4885

“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.