SCHEMBL29851729

SCHEMBL29851729

Nc1cccc(-c2ccccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 2/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ LMNA P02545 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ MAP4K4 O95819 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MAOA P21397 1/20 0.54
▸ POLB P06746 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ CCR1 P32246 2/20 0.50
▸ CCR5 P51681 2/20 0.50
▸ CCR8 P51685 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL1018949 1.00 ASIC3 (0.55) ASIC3KDM4ELMNAALDH1A1MEN1
SCHEMBL502867 0.85 KDM4E (0.62) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL29679578 0.85 KDM4E (0.62) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL30679410 0.85 MAOB (0.56) ASIC3KDM4ELMNAALDH1A1MEN1
Imidazole SCHEMBL28793335 0.84 HRH3 (0.45) ASIC3KDM4ELMNAALDH1A1MEN1
SCHEMBL9225779 0.84 KDM4E (0.55) ASIC3KDM4ELMNAALDH1A1MEN1
SCHEMBL29720253 0.83 KDM4E (0.54) ASIC3KDM4ELMNAALDH1A1MAPT
SCHEMBL12436470 0.83 KDM4E (0.54) ASIC3KDM4ELMNAALDH1A1MAPT
SCHEMBL12444511 0.83 KDM4E (0.54) ASIC3KDM4ELMNAALDH1A1MAPT
SCHEMBL18745791 0.83 PIK3CD (0.49) ASIC3KDM4ELMNAALDH1A1MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306730-A Cyclic ether modified 3-cyano-4-arylaminoquinoline derivative as well as preparation method and application thereof 河北医科大学 2025-01-14 — — CN disclosed
CN-118878470-A Novel quetiapine analogue, and preparation method and application thereof 北京安博睿达医药科技有限公司 2024-11-01 — — CN disclosed
EP-4402127-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL Business Ltd (GB) 2024-07-24 — — EP disclosed
CN-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 — — CN disclosed
WO-2023041905-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL BUSINESS LTD (GB) 2023-03-23 — — WO disclosed
WO-2022250525-A1 SELF-ASSEMBLING LIGHT-ACTIVATED METALLODRUGS UNIVERSITEIT LEIDEN (NL) 2022-12-01 — — WO disclosed
CN-115397806-A Aryl and heteroaryl compounds and their therapeutic use in conditions associated with altered activity of galactocerebrosidase 增益治疗股份有限公司 2022-11-25 — — CN disclosed
CN-113121562-B Polycyclic compounds as inhibitors of bruton's tyrosine kinase 詹森药业有限公司 2022-09-13 — — CN disclosed
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 — — 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 (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-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PNMT, MAOA, HNMT ASIC3 2567/4885KDM4E 733/4885LMNA 2593/4885

“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.

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