Sugi Predict

Sugi Predict / Compounds / SCHEMBL698049

SCHEMBL698049

SCHEMBL698049

COc1ccc(Cl)cc1COC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ SGMS2 Q8NHU3 1/20 0.37
▸ ANO1 Q5XXA6 2/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ANO2 Q9NQ90 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CTSA P10619 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35

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 0.91 NPC1 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL698816 0.90 SGMS2 (0.36) ALDH1A1SMN1; SMN2SGMS2FFAR1KMT2A
SCHEMBL3533877 0.90 SCN5A (0.40) SMN1; SMN2PTGDR2SGMS2FFAR1NPC1
SCHEMBL697715 0.88 TDP1 (0.40) ALDH1A1SMN1; SMN2KMT2AMAPK1CTSA
SCHEMBL697306 0.87 MAPT (0.41) ALDH1A1PTGDR2NPC1RAB9AKMT2A
SCHEMBL698746 0.86 PTGER1 (0.37) PTGDR2FFAR1
SCHEMBL697922 0.86 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AKMT2ACTSA
SCHEMBL697345 0.85 NPC1 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL698876 0.85 MAPT (0.44) ALDH1A1SMN1; SMN2KMT2AMAPK1MAPT
SCHEMBL697730 0.84 GRM5 (0.41) ALDH1A1FFAR1

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 ALDH1A1 617/4885SMN1; SMN2 1394/4885PTGDR2 2481/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885SMN1; SMN2 1394/4885PTGDR2 2481/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885SMN1; SMN2 1394/4885PTGDR2 2481/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885SMN1; SMN2 1394/4885PTGDR2 2481/4885

“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.