SCHEMBL697396

SCHEMBL697396

C=C(c1cc(C)cc(C#N)c1)c1nccn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 1/20 0.43
HSP90AA1 P07900 2/20 0.39
GRM5 P41594 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FDPS P14324 1/20 0.36
LMNA P02545 1/20 0.36
HSP90B1 P14625 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL697381 0.83 RAB9A (0.46) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL697953 0.75 RAB9A (0.42) RAB9ANPC1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL696695 0.75 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HSP90AA1MEN1
SCHEMBL697334 0.75 RAB9A (0.43) RAB9ANPC1SMN1; SMN2OPRD1HSP90AA1
SCHEMBL697366 0.73 HDAC1 (0.43) RAB9ANPC1SMN1; SMN2HSP90AA1CYP11B1
SCHEMBL699131 0.72 KMT2A (0.41) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL28766418 0.72 OPRD1 (0.47) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL28793808 0.71 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL696367 0.70 OPRD1 (0.51) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL699209 0.70 RAB9A (0.46) RAB9ANPC1SMN1; SMN2HSP90AA1BRD4

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
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN 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
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 RAB9A 777/4885NPC1 745/4885SMN1; SMN2 1394/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RAB9A 777/4885NPC1 745/4885SMN1; SMN2 1394/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RAB9A 777/4885NPC1 745/4885SMN1; SMN2 1394/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RAB9A 777/4885NPC1 745/4885SMN1; SMN2 1394/4885

“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.