SCHEMBL2451452

SCHEMBL2451452

COc1cc(F)c(-c2c(Cl)nc(C)n2-c2ccc(OC)nc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OXTR P30559 17/20 0.44
AVPR1A P37288 9/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AVPR2 P30518 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
SCHEMBL2452981 0.92 OXTR (0.46) OXTRAVPR1AMEN1KMT2AAVPR2
SCHEMBL2448152 0.90 PIK3CA (0.35) OXTRAVPR1A
SCHEMBL2451262 0.90 PIK3CA (0.35) OXTRAVPR1A
SCHEMBL1225623 0.86 STIM1 (0.41)
SCHEMBL1110867 0.86 PIK3CA (0.40) OXTRMEN1KMT2A
SCHEMBL1225381 0.84 PIK3CA (0.42)
SCHEMBL1076571 0.84 SMN1; SMN2 (0.38) MEN1KMT2A
SCHEMBL1073735 0.84 SMN1; SMN2 (0.41)
SCHEMBL1073182 0.84 OXTR (0.41) OXTRAVPR1AMEN1KMT2A
SCHEMBL1074241 0.83 SMN1; SMN2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110311649-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2011-12-22 US claimed
EP-2201001-B1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-14 EP claimed
EP-2201001-A1 NOVEL IMIDAZOLE DERIVATIVES Syngenta Participations AG (CH) 2010-06-30 EP claimed
WO-2009053101-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-30 WO claimed
EP-2053046-A1 Novel imidazole derivatives Syngeta Participations AG (CH) 2009-04-29 EP claimed
US-20110311649-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2011-12-22 US disclosed
EP-2201001-B1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-14 EP disclosed
EP-2201001-A1 NOVEL IMIDAZOLE DERIVATIVES Syngenta Participations AG (CH) 2010-06-30 EP disclosed
WO-2009053101-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-30 WO disclosed
EP-2053046-A1 Novel imidazole derivatives Syngeta Participations AG (CH) 2009-04-29 EP 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-20110311649-A1 NOVEL IMIDAZOLE DERIVATIVES CBR3, C3AR1, C1R OXTR 1079/4885AVPR1A 2711/4885MEN1 2980/4885

“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.