SCHEMBL2189141

SCHEMBL2189141

ON=Cc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 1.00
HPGD P15428 1/20 1.00
SENP7 Q9BQF6 4/20 0.58
CYP2A6 P11509 1/20 0.58
IMPDH2 P12268 1/20 0.58
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
PTGS2 P35354 3/20 0.57
HSP90AA1 P07900 1/20 0.57
ALDH1A1 P00352 2/20 0.55
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 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
SCHEMBL31355128 1.00 HTT (1.00) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL5167169 1.00 HTT (1.00) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL2189137 1.00 HTT (1.00) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL15930268 0.84 HTT (0.72) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL3349880 0.84 HTT (0.72) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL1643902 0.81 HTT (0.68) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL13622497 0.81 HTT (0.68) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL1643903 0.81 HTT (0.68) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL29786168 0.81 HTT (0.68) HTTHPGDSENP7CYP2A6IMPDH2
Water SCHEMBL9669666 0.79 HTT (0.66) HTTHPGDSENP7CYP2A6IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118486893-A Amino acid eutectic electrolyte, and preparation method and application thereof 江苏蓝固新能源科技有限公司 2024-08-13 CN claimed
EP-1527165-A4 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE DU PONT (US) 2006-06-07 EP claimed
EP-1527165-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. du Pont de Nemours and Company (US) 2005-05-04 EP claimed
US-20030215929-A1 Rhodococcus gene encoding aldoxime dehydratase E. I. DU PONT DE NEMOURS AND COMPANY 2003-11-20 US claimed
WO-2003078581-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-25 WO claimed
CN-119344334-A Compositions comprising recombinant bacillus cells and other biocontrol agents 巴斯夫公司 2025-01-24 CN disclosed
CN-119241718-A Fusion proteins and methods for stimulating plant growth, protecting plants, and immobilizing bacillus spores on plants 斯波根生物技术公司 2025-01-03 CN disclosed
CN-119157144-A Compositions comprising recombinant bacillus cells and pesticides 巴斯夫公司 2024-12-20 CN disclosed
CN-118486893-A Amino acid eutectic electrolyte, and preparation method and application thereof 江苏蓝固新能源科技有限公司 2024-08-13 CN disclosed
CN-107205404-B Compositions comprising recombinant bacillus cells and other biocontrol agents 巴斯夫公司 2024-08-09 CN disclosed
CN-106998695-B Compositions comprising recombinant bacillus cells and pesticides 巴斯夫公司 2024-08-06 CN disclosed
CN-117186899-A Charcoal-switchgrass root secretion and preparation method and application thereof 江西农业大学 2023-12-08 CN disclosed
EP-1527165-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. du Pont de Nemours and Company (US) 2005-05-04 EP disclosed
WO-2005030192-A1 4- (1H-INDOL-3-YL-METHYLIDENEAMINOXY-PROPOXY) -BENZIOC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS WYETH (US) 2005-04-07 WO disclosed
US-20040229872-A1 Substituted cyclohexane-1,4-diamine compounds with anti-diarrhea and peripheral analgesic activity GRUENENTHAL GMBH (DE) 2004-11-18 US disclosed
US-20030215929-A1 Rhodococcus gene encoding aldoxime dehydratase E. I. DU PONT DE NEMOURS AND COMPANY 2003-11-20 US disclosed
WO-2003078581-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-25 WO disclosed
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed
WO-1994013637-A1 HYDROXYIMINOALKYLINDOLE CARBOXYLIC ACID DERIVATIVES USED AS ANTAGONISTS OF EXCITATORY AMINO ACIDS BASF AKTIENGESELLSCHAFT (DE) 1994-06-23 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-20040229872-A1 Substituted cyclohexane-1,4-diamine compounds with anti-diarrhea and peripheral analgesic activity ARG1, CD2, PDCD1 HTT 2871/4885HPGD 863/4885SENP7 4446/4885

“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.