SCHEMBL5263086

SCHEMBL5263086

NN1COc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 4/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
HTT P42858 1/20 0.39
NOTUM Q6P988 1/20 0.38
PDK1 Q15118 1/20 0.37
NPC1 O15118 1/20 0.36
HSD17B3 P37058 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DAPK3 O43293 1/20 0.33
RET P07949 1/20 0.33

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
Hydrochloric Acid SCHEMBL12469273 0.98 ABCG2 (0.42) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL3314700 0.78 ITGB2 (0.52) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
Hydrochloric Acid SCHEMBL6416923 0.77 NOTUM (0.50) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL5636846 0.75 ITGB2 (0.48) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
Hydrochloric Acid SCHEMBL11437417 0.74 ITGB2 (0.46) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL22317949 0.73 ABCG2 (0.44) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL2491691 0.73 ABCG2 (0.44) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL4308991 0.73 ABCG2 (0.44) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL29450351 0.73 ABCG2 (0.44) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL3220813 0.73 ABCG2 (0.44) ABCG2ITGB2ICAM1ITGALSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025229494-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-11-06 WO disclosed
EP-4192830-A1 2-(4-((5-(BENZO[B]THIOPHEN-3-YL)-1H-TETRAZOL-1-YL)METHYL)PHENYL)-5-(DIFLUOROMETHYL)-1,3,4-OXADIAZOLE DERIVATIVES AND SIMILAR COMPOUNDS AS SELECTIVE INHIBITORS OF HISTONE DEACETYLASE 6 (HDAC6) FOR USE IN TREATING E.G. PERIPHERAL NEUROPATHY Italfarmaco SpA (IT) 2023-06-14 EP disclosed
EP-3980078-A1 COMBINATION THERAPY COMPRISING AN ANTI-CD25 ANTIBODY DRUG CONJUGATE AND A FURTHER AGENT ADC Therapeutics SA (CH) 2022-04-13 EP disclosed
WO-2021249258-A1 DEUTERATED PYRIDOPYRIMIDINONES AND THEIR USE AS HIGHLY SELECTIVE CYCLIN-DEPENDENT KINASE 2 INHIBITORS ZENTAUR THERAPEUTICS INTERNATIONAL LIMITED (CN) 2021-12-16 WO disclosed
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 EP disclosed
WO-2021000899-A1 A PHARMACEUTICAL COMBINATION CONTAINING mTOR INHIBITOR AND USE THEREOF ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-01-07 WO disclosed
WO-2020249527-A1 COMBINATION THERAPY COMPRISING AN ANTI-CD25 ANTIBODY DRUG CONJUGATE AND A FURTHER AGENT ADC THERAPEUTICS SA (CH) 2020-12-17 WO disclosed
EP-2768822-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-12-06 EP disclosed
US-9783512-B2 Bicyclic methylene aziridines and reactions thereof WISCONSIN ALUMI RESEARCH FOUNDATION (US) 2017-10-10 US disclosed
US-20160075668-A1 BICYCLIC METHYLENE AZIRIDINES AND REACTIONS THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2016-03-17 US disclosed
WO-2005044793-A2 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 WO disclosed
CN-1610675-A Benzothiazole- and benzoxazole-4,7-dione derivatives and their use as CDC25 phosphatase inhibitors SOD CONSEILS RECH APPLIC (FR) 2005-04-27 CN disclosed
WO-2005000843-A2 BENZOTHIAZOLE-4,7-DIONES AND BENZOXAZOLE-4,7-DIONES WITH SUBSTITUENTS IN POSITION 5 OR 6 AND METHOD FOR PRODUCTION THEREOF SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-01-06 WO disclosed
EP-1469864-A1 COMPOUNDS USEFUL AS A-3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2004-10-27 EP disclosed
EP-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 EP disclosed
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN disclosed
WO-2003061670-A1 COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2003-07-31 WO disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 CN disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 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 (1 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-20160075668-A1 BICYCLIC METHYLENE AZIRIDINES AND REACTIONS THEREOF AAAS, CYCS, AOC2 ABCG2 2474/4885ITGB2 2975/4885ICAM1 3638/4885

“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.