SCHEMBL696627

SCHEMBL696627

COc1ccc(COC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
P2RX4 Q99571 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.37
FFAR1 O14842 3/20 0.37
MMP9 P14780 2/20 0.36
MMP1 P03956 1/20 0.36
PARP1 P09874 1/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
FPR2 P25090 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL3533515 0.92 TP53 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2FFAR1
SCHEMBL698126 0.91 GRIN2B (0.41) GRIN2BP2RX4ALDH1A1SMN1; SMN2MMP9
SCHEMBL699122 0.90 FFAR1 (0.41) ALDH1A1THRBFFAR1MMP9MMP1
SCHEMBL698246 0.90 MAPT (0.44) MAPK1SMN1; SMN2FFAR1L3MBTL1LMNA
SCHEMBL697760 0.90 L3MBTL1 (0.38) GRIN2BP2RX4ALDH1A1FFAR1KMT2A
SCHEMBL696569 0.89 PPARG (0.41) FFAR1CYP1A2CYP2D6CYP2C19
SCHEMBL703335 0.89 GRIN2B (0.42) GRIN2BMAPK1FFAR1KMT2ACYP1A2
SCHEMBL696660 0.89 GRIN2B (0.38) GRIN2BFFAR1MMP9MMP1KMT2A
SCHEMBL698919 0.89 L3MBTL1 (0.38) GRIN2BALDH1A1SMN1; SMN2MMP1KMT2A
SCHEMBL696991 0.89 L3MBTL1 (0.40) GRIN2BP2RX4MAPK1FFAR1MMP9

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 3622/4885P2RX4 710/4885ALDH1A1 617/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885P2RX4 710/4885ALDH1A1 617/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885P2RX4 710/4885ALDH1A1 617/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885P2RX4 710/4885ALDH1A1 617/4885

“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.