SCHEMBL696695

SCHEMBL696695

C=C(c1cccc(C#N)c1C)c1nccn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
ADORA2A P29274 2/20 0.40
P2RX7 Q99572 1/20 0.39
HSD17B10 Q99714 1/20 0.37
FDPS P14324 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL697953 0.87 RAB9A (0.42) RAB9ASMN1; SMN2NPC1HSD17B10FDPS
SCHEMBL699209 0.85 RAB9A (0.46) RAB9ASMN1; SMN2NPC1HSD17B10FDPS
SCHEMBL696960 0.83 RAB9A (0.44) RAB9ASMN1; SMN2NPC1HSD17B10FDPS
SCHEMBL697594 0.82 RAB9A (0.46) RAB9ASMN1; SMN2NPC1HSD17B10FDPS
SCHEMBL697825 0.81 RAB9A (0.42) RAB9ASMN1; SMN2NPC1P2RX7HSD17B10
SCHEMBL696521 0.79 RAB9A (0.45) RAB9ASMN1; SMN2NPC1P2RX7HSD17B10
SCHEMBL698005 0.79 RAB9A (0.41) RAB9ASMN1; SMN2NPC1HSD17B10TDP1
SCHEMBL705643 0.78 RAB9A (0.44) RAB9ASMN1; SMN2NPC1HSD17B10FDPS
SCHEMBL698833 0.76 RAB9A (0.42) RAB9ASMN1; SMN2NPC1HSD17B10FDPS
SCHEMBL697396 0.75 RAB9A (0.43) RAB9ASMN1; SMN2NPC1HSD17B10FDPS

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 777/4885SMN1; SMN2 1394/4885NPC1 745/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RAB9A 777/4885SMN1; SMN2 1394/4885NPC1 745/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RAB9A 777/4885SMN1; SMN2 1394/4885NPC1 745/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RAB9A 777/4885SMN1; SMN2 1394/4885NPC1 745/4885

“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.