SCHEMBL844587

SCHEMBL844587

O=Cc1ccc(Cl)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MPI P34949 1/20 0.43
TDP1 Q9NUW8 4/20 0.41
NFE2L2 Q16236 1/20 0.40
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
ERN1 O75460 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
TSHR P16473 1/20 0.32

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
SCHEMBL30492852 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL12189339 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL29955480 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL1602516 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL29426957 0.77 TRIM24 (0.45) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL10117554 0.77 TDP1 (0.39) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL29950698 0.77 TDP1 (0.39) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL15228299 0.77 ERN1 (0.41) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL14011344 0.77 TDP1 (0.39) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL3509732 0.77 TDP1 (0.39) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
CN-116854689-B Imidazole [4,5f ] [1,10] phenanthroline compound, and preparation method and application thereof 中国药科大学 2023-11-17 CN claimed
CN-116854689-A Imidazole [4,5f ] [1,10] phenanthroline compound, and preparation method and application thereof 中国药科大学 2023-10-10 CN claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
CN-108794470-B 6-hydrazino-1H-pyrazolo [3,4-b ] pyridine and synthesis method of downstream product thereof 上海毕得医药科技有限公司 2020-06-26 CN claimed
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US claimed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 EP claimed
CN-106680256-A Pyrenes fluorescent probe and preparation method and application thereof 山西大学 2017-05-17 CN claimed
US-20160332016-A1 Fire Extinguishing Composition Comprising Aldoketones Compound NANO FIRE, LLC 2016-11-17 US claimed
US-6150378-A 1-((1-HALO-SUBSTITUTEDBENZOYLAMINO)-2-PHENYLETHYL)-CARBONYL -CARBONYLAMINO),2-PHENYL OR PYRID-2-YLSULFAMIDO)ETHANE DERIVATIVES; MUSCULAR DYSTROPHY, NEURODEGENERATION, STROKE, ALZHEIMER'S, AMYOTROPHY, MOTOR NEURON DAMAGE, CNS INJURY CEPHALON, INC. (US) 2000-11-21 US claimed
EP-4703362-A1 COMPOUND CONTAINING OXO-PYRIDO-ALIPHATIC RING OR ALIPHATIC HETEROCYCLIC STRUCTURE, AND MEDICAL USE THEREOF Chengdu Sibeibo Pharmaceutical Technology Co., Ltd (CN) 2026-03-04 EP disclosed
US-12528803-B2 Inhibitors of αvβ6 integrin MORPHIC THERAPEUTIC, INC. (US) 2026-01-20 US disclosed
EP-4642773-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-11-05 EP disclosed
US-12459942-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2025-11-04 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP disclosed
US-5821255-A REGULATING THE SECRETION OF CORTICOTROPIN, BETA-ENDORPHIN OR PEPTIDES DERIVED FROM PROOPIOMELANOCORTIN SANOFI (FR) 1998-10-13 US disclosed
US-5602132-A USEFUL IN TREATMENT OF PATHOLOGIES INVOLVING CORTICOTROPIN RELEASING FACTOR SANOFI (FR) 1997-02-11 US disclosed
CN-1127252-A Branched-amino-sbustituted thiazoles, processes for their preparation and the pharmaceutical compositions which contain them SANOFI SA (FR) 1996-07-24 CN disclosed
US-3974166-A FUNGICIDE CIBA-GEIGY CORPORATION (US) 1976-08-10 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 (4 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-12459942-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ALDH1A1 1629/4885CYP3A4 4019/4885CYP1A2 4794/4885
US-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD ALDH1A1 4859/4885CYP3A4 4465/4885CYP1A2 4815/4885
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS VIP, PNKP, PEPD ALDH1A1 4859/4885CYP3A4 4465/4885CYP1A2 4815/4885
US-12528803-B2 Inhibitors of αvβ6 integrin ITGB2, ITGB6, ITGA2 ALDH1A1 1264/4885CYP3A4 1986/4885CYP1A2 2020/4885

“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.