SCHEMBL696367

SCHEMBL696367

C=C(c1cccc(C(=O)OC)c1)c1nccn1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.51
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
HSP90B1 P14625 1/20 0.48
IDO1 P14902 1/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
OPRK1 P41145 1/20 0.46
ALDH1A1 P00352 2/20 0.44
YTHDC1 Q96MU7 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL696380 0.89 OPRD1 (0.52) OPRD1HSP90AA1HSP90AB1HSP90B1IDO1
SCHEMBL697334 0.85 RAB9A (0.43) OPRD1HSP90AA1RAB9ASMN1; SMN2NPC1
SCHEMBL17381155 0.82 RAB9A (0.57) OPRD1HSP90AA1HSP90AB1HSP90B1RAB9A
SCHEMBL697366 0.81 HDAC1 (0.43) HSP90AA1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL699131 0.80 KMT2A (0.41) OPRD1HSP90AA1RAB9ASMN1; SMN2NPC1
SCHEMBL697826 0.77 RAB9A (0.41) OPRD1HSP90AA1RAB9ASMN1; SMN2NPC1
SCHEMBL697918 0.76 DRD2 (0.42) OPRD1HSP90AA1RAB9ASMN1; SMN2NPC1
SCHEMBL712197 0.75 OPRD1 (0.49) OPRD1HSP90AA1HSP90AB1HSP90B1IDO1
SCHEMBL8503637 0.74 RAB9A (0.55) OPRD1HSP90AA1HSP90AB1HSP90B1RAB9A
SCHEMBL5851274 0.74 RAB9A (0.53) 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.