SCHEMBL3856824

SCHEMBL3856824

O=c1ccc2c([nH]1)CCCC2

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HCAR1 Q9BXC0 1/20 0.38
PARP1 P09874 1/20 0.37
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
ALOX15 P16050 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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 SCHEMBL32680188 0.98 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL928810 0.98 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL4187867 0.95 HCAR1 (0.41) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL13482127 0.74 PKN1 (0.44) ALDH1A1KDM4EHPGDHSD17B10PARP1
SCHEMBL4270535 0.74 CYP2A6 (0.43) HCAR1CA12CA1CA3CA4
SCHEMBL5902306 0.72 PNMT (0.42) PARP1
SCHEMBL550560 0.72 PKN2 (0.44) PARP1
SCHEMBL5901532 0.71 CA12 (0.31) CA12CA1CA3CA4CA6
Hydrochloric Acid SCHEMBL17310814 0.71 PKN2 (0.42) PARP1
Hydrochloric Acid SCHEMBL32680175 0.70 POLB (0.34) HSD17B10PARP1CA12CA1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295274-A1 ANTI-SARS CORONAVIRUS-2 SPIKE PROTEIN ANTIBODIES SINGLE CELL TECHNOLOGY, INC. (US) 2023-09-21 US claimed
WO-2022027037-A1 ANTI-SARS CORONA VIRUS-2 SPIKE PROTEIN ANTIBODIES SINGLE CELL TECHNOLOGY, INC. (US) 2022-02-03 WO claimed
CN-104402934-B Preparation method and application of 2-(diphenylphosphineethyl)-(5,6,7,8-tetrahydroquinolinyl)amine ruthenium complexes 河北师范大学 2017-01-25 CN claimed
CN-104402934-A Preparation method and application of 2-(diphenylphosphineethyl)-(5,6,7,8-tetrahydroquinolinyl)amine ruthenium complexes UNIV HEBEI NORMAL 2015-03-11 CN claimed
EP-1575947-A1 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES Amgen Inc. (US) 2005-09-21 EP claimed
US-20040147561-A1 Pyrid-2-one derivatives and methods of use SYNGENTA CROP PROTECTION AG (CH) 2004-07-29 US claimed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO claimed
CN-118742562-A Small molecule drugs that reduce protein aggregation 生物风险投资有限责任公司 2024-10-01 CN disclosed
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO (US) 2024-04-23 US disclosed
EP-4289823-A1 SUBSTITUTED PYRIDAZINE PHENOL DERIVATIVES Medshine Discovery Inc. (CN) 2023-12-13 EP disclosed
EP-3741756-B1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC (CN) 2023-11-01 EP disclosed
US-20230303564-A1 PYRIMIDINE RING COMPOUND Zhejiang Yangli Pharmaceutical Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20230295274-A1 ANTI-SARS CORONAVIRUS-2 SPIKE PROTEIN ANTIBODIES SINGLE CELL TECHNOLOGY, INC. (US) 2023-09-21 US disclosed
EP-0489379-B1 5-amino-5,6,7,8-tetrahydroquinolines and related compounds, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-07-15 EP disclosed
WO-1998028281-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-07-02 WO disclosed
EP-0603696-A1 The use of substituted dipyridine-derivatives as pesticides BASF Aktiengesellschaft (DE) 1994-06-29 EP disclosed
US-5310914-A Imination, reduction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-05-10 US disclosed
US-5216164-A Used for relieving memory dysfunction such as Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-06-01 US disclosed
EP-0489379-A1 5-amino-5,6,7,8-tetrahydroquinolines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-06-10 EP disclosed
US-5110815-A Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-05 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 (3 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-20230303564-A1 PYRIMIDINE RING COMPOUND DPYD, TYMS, TYMP ALDH1A1 1789/4885KDM4E 3998/4885HPGD 872/4885
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB ALDH1A1 304/4885KDM4E 2573/4885HPGD 354/4885
US-20040147561-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK ALDH1A1 481/4885KDM4E 2467/4885HPGD 31/4885

“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.