SCHEMBL945003

SCHEMBL945003

COc1ccc(Cl)cc1C#N

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 2/20 0.61
USP2 O75604 1/20 0.61
IMPDH2 P12268 1/20 0.52
IMPDH1 P20839 1/20 0.52
AR P10275 6/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NOS2 P35228 1/20 0.46
SLC6A4 P31645 1/20 0.46
HPGD P15428 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
VCAM1 P19320 1/20 0.44
PRKCQ Q04759 2/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL29615609 1.00 ALDH1A1 (0.61) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL4857820 0.88 AR (0.53) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL29778091 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL7050401 0.83 MAOA (0.61) ALDH1A1KDM4EARMAOAMAOB
SCHEMBL31441456 0.83 MAOA (0.61) ALDH1A1KDM4EARMAOAMAOB
SCHEMBL7691509 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL10202601 0.81 NOS2 (0.43) ALDH1A1KDM4EUSP2ARMAOA
SCHEMBL16957005 0.80 PTGDR2 (0.44) ALDH1A1KDM4EUSP2HPGDPTGDR2
SCHEMBL95805 0.80 PTGDR2 (0.48) ALDH1A1KDM4EHPGDPTGDR2
SCHEMBL3042839 0.80 PTGDR2 (0.44) ALDH1A1KDM4EUSP2HPGDPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-221492478-U Reaction and feeding integrated device for producing 5-chloro-2-methoxyl benzonitrile 南京安淮创新药物研究院有限公司 2024-08-09 CN claimed
EP-4267555-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2023-11-01 EP claimed
WO-2022117678-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2022-06-09 WO claimed
US-12415793-B2 Modulators of TMEM16A for treating respiratory disease TMEM16A LIMITED (GB) 2025-09-16 US disclosed
CN-118724752-A Tyrosine kinase inhibitor intermediate, preparation method and application thereof 重庆博腾制药科技股份有限公司 2024-10-01 CN disclosed
CN-221514416-U Solid material adding device for producing 5-chloro-2-methoxyl benzonitrile 南京安淮创新药物研究院有限公司 2024-08-13 CN disclosed
CN-221492478-U Reaction and feeding integrated device for producing 5-chloro-2-methoxyl benzonitrile 南京安淮创新药物研究院有限公司 2024-08-09 CN disclosed
CN-114269433-B Modulators of TMEM16A for the treatment of respiratory diseases TMEM16A有限公司 2024-08-02 CN disclosed
CN-114989103-B Preparation method of 2-methoxy-3- (1-methyl-1H-1, 2, 4-triazole-3-yl) aniline 杭州科巢生物科技有限公司 2024-07-09 CN disclosed
CN-118184591-A Preparation method of 2-methoxy-3- (1-methyl-1H-1, 2, 4-triazole-3-yl) aniline 上海工程技术大学 2024-06-14 CN disclosed
US-20240132467-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2024-04-25 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
US-20060068428-A1 Identification of genetic markers associated with parkinson disease DUKE UNIVERSITY 2006-03-30 US disclosed
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 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 (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-12415793-B2 Modulators of TMEM16A for treating respiratory disease TMEM109, CFTR, TMEM120A ALDH1A1 691/4885KDM4E 3220/4885USP2 3117/4885
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 ALDH1A1 1965/4885KDM4E 276/4885USP2 4265/4885
US-20240132467-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM109, CFTR, TMEM164 ALDH1A1 330/4885KDM4E 2522/4885USP2 3619/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 ALDH1A1 1144/4885KDM4E 1506/4885USP2 4276/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 ALDH1A1 1085/4885KDM4E 4221/4885USP2 4152/4885

“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.