SCHEMBL697607

SCHEMBL697607

COc1cc(COC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.36
CACNA1H O95180 1/20 0.35
GPR52 Q9Y2T5 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
RAB9A P51151 1/20 0.33
MAPK10 P53779 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL698178 0.92 SLC22A12 (0.35) ALDH1A1LMNAMAPTTDP1MAPK1
SCHEMBL698928 0.91 MAOA (0.35) CACNA1HALDH1A1LMNAPTGDR2
SCHEMBL697835 0.90 MAPT (0.41) ALDH1A1HTTLMNAMAPTTDP1
SCHEMBL703828 0.88 MEN1 (0.42) ALDH1A1HTTLMNAMAPTRAB9A
SCHEMBL698141 0.87 KMT2A (0.38) ALDH1A1HTTLMNAMAPTMAPK1
SCHEMBL696648 0.86 MAOB (0.34) ALDH1A1LMNARAB9A
SCHEMBL697361 0.86 GRIN2B (0.41) LMNAMAPTMAPK1RAB9A
SCHEMBL696660 0.86 GRIN2B (0.38) LMNAMAPTL3MBTL1RAB9A
SCHEMBL697860 0.86 FFAR1 (0.35) LMNAMAPTL3MBTL1RAB9A
SCHEMBL699122 0.85 FFAR1 (0.41) ALDH1A1LMNAMAPTRAB9A

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 ALKBH1 2169/4885CACNA1H 2753/4885GPR52 3962/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALKBH1 2169/4885CACNA1H 2753/4885GPR52 3962/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALKBH1 2169/4885CACNA1H 2753/4885GPR52 3962/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALKBH1 2169/4885CACNA1H 2753/4885GPR52 3962/4885

“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.