Sugi Predict

Sugi Predict / Compounds / SCHEMBL743712

SCHEMBL743712

SCHEMBL743712

CCOC(=O)COCc1cn(C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ TNF P01375 2/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 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
SCHEMBL14551489 0.81 MEN1 (0.43) TBXAS1HRH3TSHRCYP2C9CYP2C19
SCHEMBL6133025 0.79 CYP2C9 (0.49) HRH3TSHRCYP2C9CYP2C19MTOR
SCHEMBL23278624 0.75 TSHR (0.38) HRH3TSHRCYP2C9CYP2C19MTOR
SCHEMBL25475209 0.74 TSHR (0.42) HRH3TSHRCYP2C9CYP2C19MTOR
SCHEMBL14351443 0.72 CYP2C9 (0.43) HRH3TSHRCYP2C9CYP2C19MTOR
SCHEMBL7189404 0.72 SMN1; SMN2 (0.51) TSHRKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL25475149 0.72 CYP2C9 (0.40) HRH3TSHRCYP2C9CYP2C19MTOR
SCHEMBL14351442 0.71 CYP2C9 (0.42) HRH3TSHRCYP2C9CYP2C19MTOR
SCHEMBL3405237 0.70 GAA (0.42) TBXAS1GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL18087865 0.70 CYP2C9 (0.41) HRH3TSHRCYP2C9CYP2C19MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138176-B2 Imidazo compounds NOVARTIS AG (CH) 2012-03-20 — — US disclosed
US-20110092492-A1 IMIDAZO COMPOUNDS HEROLD PETER 2011-04-21 — — US disclosed
US-7879847-B2 such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome NOVARTIS AG (CH) 2011-02-01 — — US disclosed
US-20090192149-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 — — US disclosed
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 — — 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 (3 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-20090192149-A1 Imidazo Compounds CYP19A1, CYP11B2, GPER1 TBXAS1 1190/4885HRH3 1132/4885TSHR 486/4885
US-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 TBXAS1 216/4885HRH3 1965/4885TSHR 627/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 TBXAS1 328/4885HRH3 1976/4885TSHR 451/4885

“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.