SCHEMBL1483174

SCHEMBL1483174

O=C(O)c1cccc(Cn2c(-c3ccc(Cl)cc3OCC3CCCC3)nc3cc(F)c(F)cc32)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.50
CCR2 P41597 1/20 0.46
NR1H4 Q96RI1 6/20 0.44
MRGPRX4 Q96LA9 2/20 0.42
VDR P11473 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
GLP1R P43220 1/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL1482104 0.92 PTGER1 (0.45) PTGER1NR1H4VDRCYP3A4CYP2D6
SCHEMBL1482458 0.92 PTGER1 (0.43) PTGER1NR1H4MRGPRX4KCNH2
SCHEMBL1483024 0.90 DHFR (0.43) PTGER1NR1H4KCNH2KDM4C
SCHEMBL1482610 0.90 KMT2A (0.43) PTGER1NR1H4CYP2C9KCNH2
SCHEMBL1482456 0.88 MRGPRX4 (0.49) PTGER1NR1H4MRGPRX4VDRCYP3A4
SCHEMBL1482645 0.87 NR1H4 (0.48) PTGER1NR1H4KCNH2
SCHEMBL1483164 0.86 DHFR (0.44) PTGER1NR1H4KCNH2KDM4C
SCHEMBL1482619 0.86 KMT2A (0.45) NR1H4CYP2C9KCNH2
SCHEMBL1484274 0.85 CCR2 (0.42) PTGER1CCR2NR1H4MRGPRX4KCNH2
SCHEMBL1482284 0.85 NR1H4 (0.49) PTGER1NR1H4KCNH2

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 9 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 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
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 PTGER1 786/4885CCR2 2930/4885NR1H4 776/4885

“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.