SCHEMBL62541

SCHEMBL62541

Nc1ccc(CN2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
HRH3 Q9Y5N1 5/20 0.78
HRH4 Q9H3N8 1/20 0.69
KDM4E B2RXH2 2/20 0.67
LMNA P02545 1/20 0.66
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
MBTD1 Q05BQ5 1/20 0.59
L3MBTL3 Q96JM7 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NCF1 P14598 1/20 0.55

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
SCHEMBL3156543 1.00 ALDH1A1 (1.00) ALDH1A1HRH3HRH4KDM4ELMNA
SCHEMBL10616916 1.00 ALDH1A1 (1.00) ALDH1A1HRH3HRH4KDM4ELMNA
Hydrochloric Acid SCHEMBL7480275 0.98 ALDH1A1 (0.96) ALDH1A1HRH3HRH4KDM4ELMNA
SCHEMBL54966 0.98 ALDH1A1 (0.96) ALDH1A1HRH3HRH4KDM4ELMNA
Hydrochloric Acid SCHEMBL5529448 0.96 ALDH1A1 (0.92) ALDH1A1HRH3HRH4KDM4ELMNA
Hydrochloric Acid SCHEMBL5521932 0.96 ALDH1A1 (0.92) ALDH1A1HRH3HRH4KDM4ELMNA
SCHEMBL3153045 0.93 ALDH1A1 (0.88) ALDH1A1HRH3HRH4KDM4ELMNA
SCHEMBL10690328 0.89 LMNA (0.80) ALDH1A1HRH3HRH4KDM4ELMNA
SCHEMBL4277270 0.89 HRH3 (1.00) ALDH1A1HRH3HRH4KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7468055 0.86 HRH3 (0.95) ALDH1A1HRH3HRH4KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118892484-A Application of 4-amino-1-benzyl piperidine in preparation of medicines for preventing and/or treating acute lung injury 中国医学科学院药物研究所 2024-11-05 CN claimed
CN-118892483-A Application of MPO enzyme inhibitor in preparation of medicine for preventing and/or treating neuroinflammatory diseases 中国医学科学院药物研究所 2024-11-05 CN claimed
CN-118812777-A Anhydride-containing sulfonyl/phosphonyl copolymer and preparation method and application thereof 四川大学 2024-10-22 CN claimed
CN-118459650-A Carboxyl-sulfonyl/phosphonyl-containing copolymer and preparation method and application thereof 四川大学 2024-08-09 CN claimed
CN-118067908-B Targeted data analysis method for non-targeted metabonomics research 长春中医药大学 2024-07-05 CN claimed
CN-115160300-B Coumarin compound, preparation method thereof and application of coumarin compound in resisting Alzheimer disease 中国人民解放军北部战区总医院 2024-05-31 CN claimed
CN-117624140-A CXCR4 antagonists, methods of making and uses thereof 杭州师范大学 2024-03-01 CN claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO claimed
CN-115160300-A Coumarin compound, preparation method thereof and application of coumarin compound in resisting Alzheimer disease 中国人民解放军北部战区总医院 2022-10-11 CN claimed
EP-3666852-B1 ETCHING SOLUTION HAVING SILICON OXIDE CORROSION INHIBITOR AND METHOD OF USING THE SAME VERSUM MAT US LLC (US) 2022-01-05 EP claimed
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 US claimed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US claimed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US claimed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 WO claimed
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 US claimed
WO-2007054556-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ÆTERNA ZENTARIS GMBH (DE) 2007-05-18 WO claimed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 WO claimed
US-7126006-B2 Glycoluril core molecules for combinatorial libraries THE SCRIPPS RESEARCH INSTITUTE (US) 2006-10-24 US claimed
US-20050250830-A1 Glycoluril core molecules for combinatorial libraries THE SCRIPPS RESEARCH INSTITUTE (US) 2005-11-10 US claimed
EP-0667562-B1 Charge injection barrier for positive charging organic photoconductor HEWLETT PACKARD CO (US) 2001-03-21 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 ALDH1A1 3097/4885HRH3 1566/4885HRH4 1597/4885
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 ALDH1A1 2543/4885HRH3 2500/4885HRH4 1849/4885
US-20050250830-A1 Glycoluril core molecules for combinatorial libraries UGCG, UGDH, GLUL ALDH1A1 490/4885HRH3 3678/4885HRH4 2764/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 ALDH1A1 924/4885HRH3 1681/4885HRH4 1376/4885
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS MAP4K2, MAP3K6, MAP3K2 ALDH1A1 1988/4885HRH3 1921/4885HRH4 1568/4885

“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.