SCHEMBL3829645

SCHEMBL3829645

O=C(CCl)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.65
ALDH1A1 P00352 5/20 0.59
APP P05067 1/20 0.59
GAA P10253 1/20 0.59
HCAR3 P49019 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
HIF1A Q16665 2/20 0.57
TRPA1 O75762 1/20 0.57
MAPK1 P28482 1/20 0.57
GSK3B P49841 1/20 0.57
PLOD3 O60568 1/20 0.57
PLOD1 Q02809 1/20 0.57
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
SARM1 Q6SZW1 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57

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
SCHEMBL31069819 1.00 PLOD2 (0.65) PLOD2ALDH1A1APPGAAHCAR3
Hydrochloric Acid SCHEMBL4670148 0.98 PLOD2 (0.62) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL17803897 0.85 PLOD2 (0.61) PLOD2ALDH1A1APPGAAHCAR3
Hydrochloric Acid SCHEMBL27685574 0.84 PLOD2 (0.65) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL10320930 0.83 PLOD2 (0.89) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL29554726 0.83 PLOD2 (0.89) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL7075878 0.83 PLOD2 (0.69) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL5636336 0.82 HDAC1 (0.63) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL30065166 0.82 HDAC1 (0.63) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL6440012 0.82 PLOD2 (0.67) PLOD2ALDH1A1APPGAAHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255364-A1 Method For The Production A-Chloroalkylpyridyl Ketones And/Or The Hydrochlorides Thereof BASF AKTIENGESELLSCHAFT (DE) 2008-10-16 US claimed
EP-1751110-A1 METHOD FOR THE PRODUCTION OF A-CHLOROALKYLPYRIDYL KETONES AND/OR THE HYDROCHLORIDES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2007-02-14 EP claimed
WO-2005113505-A1 METHOD FOR THE PRODUCTION OF A-CHLOROALKYLPYRIDYL KETONES AND/OR THE HYDROCHLORIDES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-12-01 WO claimed
WO-2023081730-A1 4-HYDROXY-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID CB2 RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER TEON THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
EP-3712135-B1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE KUREHA CORP (JP) 2023-05-03 EP disclosed
US-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material KUREHA CORPORATION (JP) 2021-03-16 US disclosed
EP-3712135-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE Kureha Corporation (JP) 2020-09-23 EP disclosed
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL KUREHA CORPORATION (JP) 2020-09-17 US disclosed
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
EP-1449923-B1 NOVEL FORMATE DEHYDROGENASE TOLERANT TO HALOGEN COMPOUNDS AND PROCESS FOR PRODUCING THE SAME KANEKA CORP (JP) 2009-09-16 EP disclosed
US-20080255364-A1 Method For The Production A-Chloroalkylpyridyl Ketones And/Or The Hydrochlorides Thereof BASF AKTIENGESELLSCHAFT (DE) 2008-10-16 US disclosed
EP-1454899-A1 PROCESS FOR PREPARATION OF (S)-ALPHA-HALOME THYLPYRIDINE METHANOL DERIVATIVES KANEKA CORPORATION (JP) 2004-09-08 EP disclosed
EP-1449923-A1 NOVEL FORMATE DEHYDROGENASE TOLERANT TO HALOGEN COMPOUNDS AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 2004-08-25 EP disclosed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 US disclosed
US-20030207877-A1 Pyridoquinoxaline antivirals PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003059912-A1 OXOTHIENO (3, 2-B) PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003053971-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 WO disclosed
EP-1040106-A1 CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-10-04 EP disclosed
WO-1999032476-A1 CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS BAYER CORPORATION (US) 1999-07-01 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-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material NOS2, NOS1, CYP51A1 PLOD2 1700/4885ALDH1A1 1485/4885APP 3646/4885
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL NOS2, NOS1, CYP51A1 PLOD2 1700/4885ALDH1A1 1485/4885APP 3646/4885
US-20030207877-A1 Pyridoquinoxaline antivirals IFNAR1, SARS1, ZC3HAV1 PLOD2 3187/4885ALDH1A1 1275/4885APP 4868/4885
US-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 PLOD2 4700/4885ALDH1A1 1981/4885APP 4869/4885
US-20080255364-A1 Method For The Production A-Chloroalkylpyridyl Ketones And/Or The Hydrochlorides Thereof CBS, PCCA, ALK PLOD2 1776/4885ALDH1A1 620/4885APP 3007/4885

“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.