Sugi Predict

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SCHEMBL698816

SCHEMBL698816

COc1ccc(OC)c(COC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ TSPO P30536 1/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL697660 0.92 NPC1 (0.38) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL698747 0.90 MTNR1B (0.37) MEN1KMT2AFFAR1
SCHEMBL698049 0.90 ALDH1A1 (0.39) SGMS2KMT2AFFAR1MAPTSMN1; SMN2
SCHEMBL697715 0.89 TDP1 (0.40) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL697922 0.87 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL697345 0.86 NPC1 (0.38) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL699122 0.86 FFAR1 (0.41) MEN1KMT2AFFAR1MAPTALDH1A1
SCHEMBL698876 0.86 MAPT (0.44) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL696627 0.86 GRIN2B (0.40) MEN1KMT2AFFAR1MAPTSMN1; SMN2
SCHEMBL713263 0.85 KDM5A (0.36) MEN1KMT2AFFAR1MAPTALDH1A1

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 SGMS2 3847/4885MEN1 493/4885KMT2A 945/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SGMS2 3847/4885MEN1 493/4885KMT2A 945/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SGMS2 3847/4885MEN1 493/4885KMT2A 945/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SGMS2 3847/4885MEN1 493/4885KMT2A 945/4885

“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.