Sugi Predict

Sugi Predict / Compounds / SCHEMBL1613328

SCHEMBL1613328

SCHEMBL1613328

COC(=O)c1ccc(C#N)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 2/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ SCN8A Q9UQD0 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL29546482 0.87 AR (0.49) ARSMN1; SMN2KDM4EGAAMRGPRX4
SCHEMBL385459 0.87 AR (0.49) ARSMN1; SMN2KDM4EGAAMRGPRX4
SCHEMBL7291041 0.85 AR (0.46) ARSMN1; SMN2KDM4EMCHR1LRRK2
SCHEMBL1614434 0.85 ALDH1A1 (0.57) ARKDM4ESLC22A12
SCHEMBL1546502 0.84 TDP1 (0.58) SMN1; SMN2KDM4EGAAMRGPRX4
SCHEMBL7986113 0.84 PDE5A (0.48) ARSMN1; SMN2KDM4EGAACA12
SCHEMBL11520744 0.84 CA12 (0.46) ARSMN1; SMN2KDM4EGAAMRGPRX4
SCHEMBL3139410 0.84 SLC22A12 (0.53) SMN1; SMN2HIF1ASLC22A12CHEK1
SCHEMBL5653240 0.83 AR (0.45) ARGAAMCHR1LRRK2SCN8A
SCHEMBL5901049 0.83 PARP15 (0.47) ARMCHR1HIF1ASLC22A12CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040475-A Compounds as WRN inhibitors and uses thereof 南京圣和药业股份有限公司 2025-05-27 — — CN disclosed
WO-2024086246-A2 2-SUBSTITUTED 3,4 A, 5, 7, 8, 8 A-HEXAHYDRO-4H-THIOP YRANO [4,3- DJPYRIMIDIN-4-ONES FOR WOUND TREATMENT Eluciderm Inc. (US) 2024-04-25 — — WO disclosed
WO-2024086246-A2 2-SUBSTITUTED 3,4 A, 5, 7, 8, 8 A-HEXAHYDRO-4H-THIOP YRANO [4,3- DJPYRIMIDIN-4-ONES FOR WOUND TREATMENT Eluciderm Inc. (US) 2024-04-25 — — WO disclosed
WO-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 — — WO disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 — — EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 — — EP disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 — — US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 — — EP disclosed
EP-2488491-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS F. Hoffmann-La Roche AG (CH) 2012-08-22 — — EP disclosed
WO-2012103071-A2 COMPOUNDS AND COMPOSITIONS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-02 — — WO disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 — — US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 — — US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 — — US disclosed
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2006-07-27 — — US disclosed
EP-1592693-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS Ferring B.V. (NL) 2005-11-09 — — EP disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 — — WO disclosed
EP-1449844-A1 benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2004-08-25 — — EP disclosed
US-20040082786-A1 Piperazine based inhibitors of factor xa MILENNIUM PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
EP-1322610-A2 PIPERAZINE BASED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2003-07-02 — — EP disclosed
WO-2002026720-A2 PIPERAZINE BASED INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-04-04 — — WO 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 (2 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-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B AR 249/4885SMN1; SMN2 3618/4885KDM4E 3528/4885
US-20040082786-A1 Piperazine based inhibitors of factor xa TFPI, F11, F12 AR 4375/4885SMN1; SMN2 2418/4885KDM4E 2850/4885

“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.