SCHEMBL696380

SCHEMBL696380

COC(=O)c1cccc(C(=O)c2nccn2Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.52
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
HSP90B1 P14625 1/20 0.49
IDO1 P14902 1/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
OPRK1 P41145 1/20 0.47
YTHDC1 Q96MU7 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44

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
SCHEMBL696367 0.89 OPRD1 (0.51) OPRD1HSP90AA1HSP90AB1HSP90B1IDO1
SCHEMBL17381155 0.84 RAB9A (0.57) OPRD1HSP90AA1HSP90AB1HSP90B1RAB9A
SCHEMBL5851274 0.84 RAB9A (0.53) OPRD1HSP90AA1RAB9ASMN1; SMN2NPC1
SCHEMBL698194 0.82 KMT2A (0.46) OPRD1HSP90AA1RAB9ASMN1; SMN2NPC1
SCHEMBL697631 0.79 RAB9A (0.46) OPRD1HSP90AA1RAB9ASMN1; SMN2NPC1
SCHEMBL7299707 0.77 TSHR (0.53) OPRD1HSP90AA1HSP90AB1HSP90B1RAB9A
SCHEMBL712197 0.77 OPRD1 (0.49) OPRD1HSP90AA1HSP90AB1HSP90B1IDO1
SCHEMBL8503637 0.76 RAB9A (0.55) OPRD1HSP90AA1HSP90AB1HSP90B1RAB9A
SCHEMBL20569138 0.74 IDO1 (0.53) OPRD1IDO1YTHDC1KMT2ALOXL2
SCHEMBL697690 0.74 RAB9A (0.51) OPRD1HSP90AA1RAB9ASMN1; SMN2NPC1

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
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
CN-101370786-A Substituted imidazoles and their use as pesticides PFIZER LTD (GB) 2009-02-18 CN disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 OPRD1 1759/4885HSP90AA1 1213/4885HSP90AB1 749/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 OPRD1 1759/4885HSP90AA1 1213/4885HSP90AB1 749/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 OPRD1 1759/4885HSP90AA1 1213/4885HSP90AB1 749/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 OPRD1 1759/4885HSP90AA1 1213/4885HSP90AB1 749/4885

“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.