SCHEMBL698127

SCHEMBL698127

Cc1cccc([C@H](C)c2nccn2C(=O)OCc2ccc(C(C)(C)C)cc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TRPV1 Q8NER1 1/20 0.37
NR4A2 P43354 2/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
NAAA Q02083 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NR2F2 P24468 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SLC6A5 Q9Y345 1/20 0.33
SCN9A Q15858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL723425 0.90 NPC1 (0.33) GRIN2BNPC1RAB9ATRPV1NR4A2
SCHEMBL723424 0.90 NPC1 (0.33) GRIN2BNPC1RAB9ATRPV1NR4A2
SCHEMBL698126 0.90 GRIN2B (0.41) GRIN2BRAB9ATRPV1NAAAMEN1
SCHEMBL697760 0.89 L3MBTL1 (0.38) GRIN2BNPC1RAB9AMEN1KMT2A
SCHEMBL698919 0.88 L3MBTL1 (0.38) GRIN2BRAB9ATRPV1MEN1KMT2A
SCHEMBL703335 0.88 GRIN2B (0.42) GRIN2BNPC1RAB9AMEN1KMT2A
SCHEMBL696660 0.88 GRIN2B (0.38) GRIN2BNPC1RAB9AMEN1KMT2A
SCHEMBL696991 0.88 L3MBTL1 (0.40) GRIN2BRAB9AL3MBTL1LMNAMAPT
SCHEMBL3533515 0.87 TP53 (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL696627 0.87 GRIN2B (0.40) GRIN2BRAB9AMEN1KMT2ASMN1; SMN2

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 9 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
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 GRIN2B 3622/4885NPC1 745/4885RAB9A 777/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885NPC1 745/4885RAB9A 777/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885NPC1 745/4885RAB9A 777/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885NPC1 745/4885RAB9A 777/4885

“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.