SCHEMBL105391

SCHEMBL105391

COC(=O)c1ccc(OC)c(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.57
USP2 O75604 2/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 3/20 0.51
CYP2C9 P11712 2/20 0.48
MEN1 O00255 2/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
XDH P47989 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
HPGD P15428 1/20 0.47
VNN1 O95497 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL8330557 0.93 CA12 (0.53) ALDH1A1MAPTUSP2KDM4EKMT2A
SCHEMBL8148281 0.91 CA1 (0.52) ALDH1A1MAPTUSP2KDM4EKMT2A
SCHEMBL1756642 0.90 MAPT (0.57) ALDH1A1MAPTUSP2KDM4EKMT2A
SCHEMBL8009071 0.87 MAPT (0.54) ALDH1A1MAPTKDM4EKMT2ACYP2C9
SCHEMBL8007448 0.86 RAB9A (0.49) ALDH1A1MAPTUSP2KDM4EKMT2A
SCHEMBL7001839 0.85 ALDH1A1 (0.65) ALDH1A1USP2KDM4EKMT2ACYP2C9
SCHEMBL1419879 0.85 ALDH1A1 (0.62) ALDH1A1USP2KDM4ECA1CA2
SCHEMBL5874030 0.84 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AXDHHPGD
SCHEMBL1807138 0.84 XDH (0.54) MAPTXDHLMNA
SCHEMBL30488306 0.84 XDH (0.54) MAPTXDHLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109295499-A With the preparation method for the Full color library of molecules that Ir (pbi) 2 (acac) is skeleton 四川大学 2019-02-01 CN claimed
US-20250179000-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2025-06-05 US disclosed
EP-4452918-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2024-10-30 EP disclosed
CN-118451070-A BCL-2 inhibitors 伊尔治疗学股份有限公司 2024-08-06 CN disclosed
CN-114828959-B 3- (5-methoxy-1-oxo-isoindolin-2-yl) piperidine-2, 6-dione derivative and application thereof 诺华股份有限公司 2024-04-02 CN disclosed
EP-4076650-B1 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-28 EP disclosed
CN-116354931-A Substituted oxazole derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
WO-2023122276-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2023-06-29 WO disclosed
US-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2023-01-31 US disclosed
US-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2023-01-31 US disclosed
US-6294531-B1 AMINOALKANOLS AS BLOOD COAGULANTS SMITHKLINE BEECHAM CORPORATION 2001-09-25 US disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed
WO-2000071509-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed
US-6077853-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-06-20 US disclosed
EP-0973730-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-01-26 EP disclosed
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
US-5939439-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-08-17 US disclosed
WO-1998045255-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-15 WO disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 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-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof HBZ, ZFX, HBG1 ALDH1A1 715/4885MAPT 3977/4885USP2 3726/4885
US-20250179000-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF GRM3, GRM2, GRM1 ALDH1A1 4468/4885MAPT 1240/4885USP2 2335/4885

“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.