SCHEMBL2011678

SCHEMBL2011678

Nc1nc2ccccc2cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 9/20 0.49
IKBKB O14920 1/20 0.49
KDM4E B2RXH2 5/20 0.46
GAA P10253 3/20 0.46
TLR8 Q9NR97 3/20 0.46
CASP6 P55212 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
NPC1 O15118 3/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9120430 0.80 RAB9A (0.55) RAB9AMEN1KMT2AALDH1A1GAA
SCHEMBL1682777 0.80 RAB9A (0.55) RAB9AMEN1KMT2AALDH1A1GAA
Acridine SCHEMBL27545385 0.79 RAB9A (0.63) RAB9AMEN1KMT2AALDH1A1HTT
SCHEMBL2425847 0.79 HTT (0.58) RAB9AMEN1KMT2AALDH1A1CASP6
SCHEMBL358410 0.79 RAB9A (0.58) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL28818163 0.79 RAB9A (0.54) RAB9AMEN1KMT2AALDH1A1GAA
SCHEMBL14661558 0.79 RAB9A (0.54) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL2011679 0.79 KMT2A (0.50) RAB9AMEN1KMT2AALDH1A1IKBKB
SCHEMBL11108095 0.79 RAB9A (0.54) RAB9AMEN1KMT2AALDH1A1GAA
SCHEMBL27916543 0.79 RAB9A (0.54) RAB9AMEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1830964-B 4-Substituting anilino-3-nitroquinoline compounds, prepn. method and use thereof SHANGHAI INST OF MEDICINES CHINESE ACADEMY OF SCIENCES 2011-06-15 CN claimed
CN-1830964-A 4-Substituting anilino-3-nitroquinoline compounds, prepn. method and use thereof SHANGHAI INST OF MEDICINES CHI (CN) 2006-09-13 CN claimed
CN-104968200-A Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity WELLSTAT THERAPEUTICS CORP 2015-10-07 CN disclosed
EP-2755982-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohme Corp. (US) 2014-07-23 EP disclosed
WO-2013039878-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-21 WO disclosed
EP-2545060-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
EP-2516430-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
EP-2503881-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohme Corp. (US) 2012-10-03 EP disclosed
CN-101410114-B A3 adenosine receptor allosteric modulators US GOV HEALTH & HUMAN SERV (US) 2012-07-04 CN disclosed
WO-2011112429-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2011-09-15 WO disclosed
WO-2011087740-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2011-07-21 WO disclosed
CN-101410114-A A3 adenosine receptor allosteric modulators US GOV HEALTH & HUMAN SERV (US) 2009-04-15 CN disclosed
US-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY 2009-03-05 US disclosed
CN-1830964-A 4-Substituting anilino-3-nitroquinoline compounds, prepn. method and use thereof SHANGHAI INST OF MEDICINES CHI (CN) 2006-09-13 CN disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
EP-0681570-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-15 EP disclosed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 WO disclosed
EP-0098751-A2 Quinolinyloxy(amino)phenols and alkoxyphenyloxy(amino)quinolines ICI AUSTRALIA LIMITED (AU) 1984-01-18 EP 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-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES IL2, EIF2AK2, IFNG RAB9A 3123/4885MEN1 4334/4885KMT2A 3200/4885

“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.