SCHEMBL1969064

SCHEMBL1969064

COC(=O)c1cc(C(C)C)c[nH]1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
BAZ2B Q9UIF8 1/20 0.51
BAZ2A Q9UIF9 1/20 0.51
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ULK1 O75385 1/20 0.37
ALPL P05186 1/20 0.37

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
SCHEMBL27794127 0.84 ALDH1A1 (0.51) ALDH1A1BAZ2BBAZ2AGAALMNA
SCHEMBL27915046 0.82 ALDH1A1 (0.52) ALDH1A1BAZ2BBAZ2AGAALMNA
SCHEMBL70354 0.79 BAZ2B (0.71) ALDH1A1BAZ2BBAZ2AGAALMNA
SCHEMBL1969597 0.79 TDP1 (0.51) GAA
SCHEMBL25567051 0.78 CREBBP (0.58) ALDH1A1GAAKMT2A
SCHEMBL19008981 0.78 ALDH1A1 (0.34) ALDH1A1BAZ2BBAZ2A
SCHEMBL279718 0.77 CCNC (0.43) ALDH1A1KMT2A
SCHEMBL23952006 0.76 ALDH1A1 (0.54) ALDH1A1GAALMNAMAPK1MEN1
SCHEMBL2661552 0.75 ALDH1A1 (0.69) ALDH1A1BAZ2BBAZ2AGAALMNA
SCHEMBL162449 0.75 BAZ2B (0.56) ALDH1A1BAZ2BBAZ2AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466813-B2 PRC1 inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-11-11 US disclosed
EP-4155293-B1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH UNIV MICHIGAN REGENTS (US) 2025-07-30 EP disclosed
CN-112533581-B PRC1 inhibitors and methods of treatment therewith 密歇根大学董事会 2024-08-30 CN disclosed
EP-3813784-B1 PRC1 INHIBITORS AND PRC1 INHIBITORS FOR USE IN METHODS OF TREATMENT THEREWITH UNIV MICHIGAN REGENTS (US) 2024-01-10 EP disclosed
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US disclosed
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US disclosed
US-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-04-20 US disclosed
US-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-04-20 US disclosed
EP-4155293-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH The Regents of The University of Michigan (US) 2023-03-29 EP disclosed
US-11319302-B2 PRC1 inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-05-03 US disclosed
US-20200039963-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-06 US disclosed
US-9758509-B2 Substituted 3-(5-membered unsaturated heterocyclyl-1, 3-dihydro-indol-2-one's and derivatives thereof as kinase inhibitors ALLERGAN, INC. (US) 2017-09-12 US disclosed
US-9758509-B2 Substituted 3-(5-membered unsaturated heterocyclyl-1, 3-dihydro-indol-2-one's and derivatives thereof as kinase inhibitors ALLERGAN, INC. (US) 2017-09-12 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
CN-101218234-B Phenyl-3-{(3-(1H-pyrrol-2-yl)-[1,2,4]oxadiazol-5-yl]piperidin-1-yl}-methanone derivatives and related compounds as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2011-12-14 CN disclosed
EP-1912979-B1 PHENYL-{3-(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2011-06-22 EP disclosed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US disclosed
CN-101218234-A Phenyl-3-{(3-(1H-pyrrol-2-yl)-[1,2,4]oxadiazol-5-yl]piperidin-1-yl}-methanone derivatives and related compounds as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2008-07-09 CN disclosed
EP-1912979-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-04-23 EP disclosed
WO-2006123257-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1, 2 , 4]0XADIAZ0L-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 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 (7 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-12466813-B2 PRC1 inhibitors and methods of treatment therewith BMI1, EZH2, CBX3 ALDH1A1 1903/4885BAZ2B 8/4885BAZ2A 5/4885
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B ALDH1A1 898/4885BAZ2B 295/4885BAZ2A 256/4885
US-11319302-B2 PRC1 inhibitors and methods of treatment therewith BMI1, EZH2, CBX3 ALDH1A1 1903/4885BAZ2B 8/4885BAZ2A 5/4885
US-20200039963-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 ALDH1A1 1903/4885BAZ2B 8/4885BAZ2A 5/4885
US-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 ALDH1A1 1903/4885BAZ2B 8/4885BAZ2A 5/4885
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors GRM5, GRIK5, GRM2 ALDH1A1 4261/4885BAZ2B 1559/4885BAZ2A 1556/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR ALDH1A1 3479/4885BAZ2B 1107/4885BAZ2A 739/4885

“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.