Sugi Predict

Sugi Predict / Compounds / SCHEMBL3530362

SCHEMBL3530362

SCHEMBL3530362

CCOc1ccccc1COC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.40
▸ FNTB P49356 2/20 0.40
▸ PGGT1B P53609 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CCNC P24863 2/20 0.35
▸ CDK8 P49336 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 0.34
▸ APH1B Q8WW43 2/20 0.34
▸ NCSTN Q92542 2/20 0.34
▸ APH1A Q96BI3 2/20 0.34
▸ PSENEN Q9NZ42 2/20 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
SCHEMBL697715 0.92 TDP1 (0.40) LMNATSHRMAPTL3MBTL1ALDH1A1
SCHEMBL698176 0.91 GRIN2B (0.41) FNTAFNTBPGGT1BLMNATSHR
SCHEMBL699093 0.89 ALDH1A1 (0.40) LMNATSHRMAPTALDH1A1POLB
SCHEMBL698876 0.87 MAPT (0.44) LMNATSHRMAPTALDH1A1TP53
SCHEMBL696969 0.87 CASP3 (0.39) LMNAMAPTNPSR1ALDH1A1GRIN2B
SCHEMBL702153 0.87 GRIN2B (0.39) LMNATSHRMAPTL3MBTL1ALDH1A1
SCHEMBL698766 0.86 KMT2A (0.40) ALDH1A1GRIN2BPOLBTP53
SCHEMBL697700 0.85 EPHX1 (0.39) GRIN2B
SCHEMBL698141 0.85 KMT2A (0.38) LMNAMAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL697709 0.85 LMNA (0.34) LMNATSHRMAPTALDH1A1GRIN2B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FNTA 1512/4885FNTB 1908/4885PGGT1B 146/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 FNTA 1512/4885FNTB 1908/4885PGGT1B 146/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 FNTA 1512/4885FNTB 1908/4885PGGT1B 146/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 FNTA 1512/4885FNTB 1908/4885PGGT1B 146/4885

“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.