SCHEMBL2720892

SCHEMBL2720892

O=[N+]([O-])c1cnc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 2/20 0.53
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 3/20 0.48
ADORA3 P0DMS8 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE10A Q9Y233 1/20 0.44
KDM4E B2RXH2 1/20 0.41
GPR3 P46089 1/20 0.41
NQO2 P16083 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Biphenyl SCHEMBL27839337 0.93 RAB9A (0.54) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL27575663 0.88 RAB9A (0.54) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL28856786 0.82 ADORA3 (0.51) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL27841885 0.81 RAB9A (0.41) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL28748533 0.78 POLB (0.51) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL27787310 0.77 MEN1 (0.38) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL371826 0.73 RAB9A (0.53) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL31277500 0.73 RAB9A (0.39) RAB9ANPC1ALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL27441126 0.72 RAB9A (0.51) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL7153742 0.72 NPC1 (1.00) RAB9ANPC1ALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112538053-A Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof 同济大学 2021-03-23 CN claimed
CN-110627732-A Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof 同济大学 2019-12-31 CN claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
CN-102105623-B Electrolytic gold plating solution and gold film obtained using same JAPAN PURE CHEMICAL CO LTD 2013-10-02 CN claimed
CN-102105623-A Electrolytic gold plating solution and gold film obtained using same JAPAN PURE CHEMICAL CO LTD 2011-06-22 CN claimed
EP-1733715-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a heterocyclic direct dye OREAL (FR) 2010-01-27 EP claimed
EP-1733715-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a heterocyclic direct dye L'OREAL (FR) 2006-12-20 EP claimed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
CN-112538053-B Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof 同济大学 2022-09-02 CN disclosed
CN-112538053-B Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof 同济大学 2022-09-02 CN disclosed
CN-112538053-B Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof 同济大学 2022-09-02 CN disclosed
EP-3183757-B1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING LIQUID MEDIUM CLAP CO LTD (KR) 2022-05-04 EP disclosed
CN-112538053-A Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof 同济大学 2021-03-23 CN disclosed
CN-100417647-C Microwave heating method for synthesizing quinxalines UNIV SICHUAN (CN) 2008-09-10 CN disclosed
CN-1915214-A Composition for dyeing keratin fibers, comprising at least one diamino-n,n-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye OREAL (FR) 2007-02-21 CN disclosed
US-20070006398-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye L'OREAL S.A. (FR) 2007-01-11 US disclosed
EP-1733715-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a heterocyclic direct dye L'OREAL (FR) 2006-12-20 EP disclosed
CN-1696118-A Microwave heating method for synthesizing quinxalines UNIV SICHUAN (CN) 2005-11-16 CN disclosed
US-5752984-A Use of 1,2,3,4-tetrahydroquinoxalines as oxidation dye precursors in oxidative coloring formulations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-05-19 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 (2 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-20070006398-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye KRT18, DSP, DSG1 RAB9A 4528/4885NPC1 4860/4885ALDH1A1 310/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR RAB9A 1863/4885NPC1 917/4885ALDH1A1 4757/4885

“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.