SCHEMBL703828

SCHEMBL703828

COc1cc(COC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)ccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
APP P05067 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
LMNA P02545 1/20 0.39
RAF1 P04049 1/20 0.39

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
SCHEMBL697835 0.92 MAPT (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL698178 0.90 SLC22A12 (0.35) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL697760 0.89 L3MBTL1 (0.38) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL697607 0.88 ALKBH1 (0.36) RAB9ASMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL698141 0.87 KMT2A (0.38) MEN1KMT2ANPC1SMN1; SMN2MRGPRX4
SCHEMBL698246 0.87 MAPT (0.44) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL699122 0.86 FFAR1 (0.41) MEN1KMT2ANPC1RAB9AMRGPRX4
SCHEMBL696627 0.85 GRIN2B (0.40) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL704575 0.85 FFAR1 (0.38) NPC1RAB9A
SCHEMBL697165 0.84 GRIN2B (0.42) HPGDALDH1A1MAPTLMNA

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 MEN1 493/4885KMT2A 945/4885MTNR1A 4270/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MEN1 493/4885KMT2A 945/4885MTNR1A 4270/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MEN1 493/4885KMT2A 945/4885MTNR1A 4270/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MEN1 493/4885KMT2A 945/4885MTNR1A 4270/4885

“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.