Sugi Predict

Sugi Predict / Compounds / SCHEMBL976684

SCHEMBL976684

SCHEMBL976684

COc1ccc(C(=O)C#N)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.63
▸ TSHR P16473 2/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ CA4 P22748 1/20 0.61
▸ CA6 P23280 1/20 0.61
▸ CA7 P43166 1/20 0.61
▸ TPMT P51580 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ CA14 Q9ULX7 1/20 0.61
▸ MAPT P10636 4/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ ELANE P08246 1/20 0.58
▸ PDE4A P27815 6/20 0.57
▸ PDE4B Q07343 6/20 0.57
▸ PDE4C Q08493 6/20 0.57

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
SCHEMBL30413049 1.00 CYP1A2 (0.63) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL28536830 0.84 ALDH1A1 (0.67) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL29005866 0.84 TAS1R3 (0.48) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL18792120 0.82 PDE4A (0.46) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL17244255 0.81 TSHR (0.63) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL2124800 0.81 TSHR (0.63) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL7222765 0.81 PDE4B (0.61) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL5073571 0.80 TSHR (0.56) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL9832697 0.79 PDE4A (0.56) CYP3A4TPMTMAPTALDH1A1PDE4A
SCHEMBL7781768 0.79 PDE4A (0.54) CYP1A2TSHRCYP3A4CYP2C9CYP2C19

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4596885-A Process for the preparation of phenylglyoxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1986-06-24 — — US claimed
EP-3002280-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2023-05-24 — — EP disclosed
US-9862691-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2018-01-09 — — US disclosed
US-9630933-B2 Method for producing 1-H-tetrazole derivative NIPPON SODA CO., LTD. (JP) 2017-04-25 — — US disclosed
US-9630933-B2 Method for producing 1-H-tetrazole derivative NIPPON SODA CO., LTD. (JP) 2017-04-25 — — US disclosed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 — — US disclosed
US-9422253-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2016-08-23 — — US disclosed
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 — — EP disclosed
EP-2451806-B1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2016-03-09 — — EP disclosed
EP-2229371-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-12-23 — — EP disclosed
US-20140243343-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-08-28 — — US disclosed
US-8748599-B2 Cyclic triazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-06-10 — — US disclosed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 — — US disclosed
US-20120135992-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2012-05-31 — — US disclosed
EP-2451806-A2 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2012-05-16 — — EP disclosed
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 — — US disclosed
WO-2011004195-A2 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 — — WO disclosed
EP-2229371-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2010-09-22 — — EP disclosed
WO-2009090431-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2009-07-23 — — WO disclosed
US-4596885-A Process for the preparation of phenylglyoxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1986-06-24 — — 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 (5 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-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CYP1A2 931/4885TSHR 295/4885CYP3A4 1322/4885
US-20120135992-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS SCN5A, SCN1B, KCNH2 CYP1A2 1010/4885TSHR 371/4885CYP3A4 1395/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A CYP1A2 3114/4885TSHR 77/4885CYP3A4 3366/4885
US-20140243343-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS SCN5A, SCN1B, KCNH1 CYP1A2 888/4885TSHR 397/4885CYP3A4 1066/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CYP1A2 787/4885TSHR 309/4885CYP3A4 1230/4885

“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.