SCHEMBL532500

SCHEMBL532500

O=C1COc2ccc(C(=O)CCl)cc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
MAPT P10636 5/20 1.00
GAA P10253 2/20 0.62
PKM P14618 3/20 0.60
RXFP1 Q9HBX9 1/20 0.60
KDM4E B2RXH2 1/20 0.60
CASP3 P42574 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
TSHR P16473 1/20 0.57
POLB P06746 1/20 0.57
SMYD3 Q9H7B4 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL29550875 1.00 ALDH1A1 (1.00) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4173560 0.89 ALDH1A1 (0.80) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL8541100 0.89 ALDH1A1 (0.80) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4264178 0.86 ALDH1A1 (0.75) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4291442 0.86 ALDH1A1 (0.75) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL10652999 0.86 MAPT (0.78) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4850707 0.85 ALDH1A1 (0.74) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4724873 0.84 ALDH1A1 (0.73) ALDH1A1MAPTGAAPKMRXFP1
Hydrochloric Acid SCHEMBL4265299 0.84 ALDH1A1 (0.73) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL24125014 0.84 ALDH1A1 (0.72) ALDH1A1MAPTGAAPKMRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-14 US disclosed
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-04-13 US disclosed
EP-3661990-A1 CURABLE COMPOSITION INCLUDING EPOXY RESIN AND CURABLE SOLID FILLER 3M Innovative Properties Company (US) 2020-06-10 EP disclosed
EP-3115361-B1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-10-23 EP disclosed
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
WO-2019027746-A1 CURABLE COMPOSITION INCLUDING EPOXY RESIN AND CURABLE SOLID FILLER 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-02-07 WO disclosed
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-08 US disclosed
US-10138234-B2 2-phenyl or 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2018-11-27 US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 US disclosed
WO-2004017974-A1 PIPERIDINE-PYRIDAZONES AND PHTHALAZONES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2004-03-04 WO disclosed
EP-1392686-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP disclosed
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB 2003-08-14 US disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO disclosed
WO-2002096907-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-05 WO disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 WO disclosed
US-4358455-A GLAUCOMA, HYPOTENSIVE, ANTIARRHYTHMIA, BRONCHODILATORS MERCK & CO., INC. (US) 1982-11-09 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 (8 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-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, RYR1 ALDH1A1 321/4885MAPT 4780/4885GAA 2942/4885
US-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 ALDH1A1 2878/4885MAPT 1018/4885GAA 3830/4885
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HTR3D, PTGDR2, PTGIR ALDH1A1 2980/4885MAPT 2831/4885GAA 4471/4885
US-10138234-B2 2-phenyl or 2-hetaryl imidazol[1,2-a]pyridine derivatives CNKSR1, HCAR3, HCAR1 ALDH1A1 128/4885MAPT 4305/4885GAA 2595/4885
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 ALDH1A1 2878/4885MAPT 1018/4885GAA 3830/4885
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives TBXA2R, HRH2, CYP4F3 ALDH1A1 873/4885MAPT 3434/4885GAA 2384/4885
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof CYP11B2, CYP11B1, ADCYAP1R1 ALDH1A1 485/4885MAPT 280/4885GAA 339/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 ALDH1A1 485/4885MAPT 280/4885GAA 339/4885

“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.