SCHEMBL972656

SCHEMBL972656

CN(C)CCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
NPSR1 Q6W5P4 1/20 0.65
KAT2B Q92831 2/20 0.60
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.49
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL29504306 1.00 ALDH1A1 (0.65) ALDH1A1NPSR1KAT2BMAPTSMN1; SMN2
SCHEMBL7973853 0.91 KAT2B (0.66) ALDH1A1NPSR1KAT2BMAPTSMN1; SMN2
SCHEMBL14960116 0.86 KAT2B (0.59) ALDH1A1NPSR1KAT2BMAPTSMN1; SMN2
SCHEMBL16655113 0.85 KAT2B (0.57) ALDH1A1NPSR1KAT2BMAPTSMN1; SMN2
SCHEMBL8985609 0.84 KAT2B (0.57) ALDH1A1NPSR1KAT2BMAPTSMN1; SMN2
SCHEMBL6198859 0.84 KAT2B (0.80) ALDH1A1KAT2BMAPTSMN1; SMN2NPC1
SCHEMBL4077151 0.81 KAT2B (0.66) ALDH1A1KAT2BMAPTSMN1; SMN2NPC1
SCHEMBL7170020 0.81 KAT2B (0.81) ALDH1A1KAT2BMAPTSMN1; SMN2NPC1
SCHEMBL6200169 0.81 KAT2B (0.81) ALDH1A1KAT2BMAPTSMN1; SMN2NPC1
SCHEMBL9725410 0.80 ALDH1A1 (0.72) ALDH1A1NPSR1KAT2BMAPTSMN1; SMN2

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
WO-2020240492-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-12-03 WO disclosed
EP-3057943-A1 PYRIMIDINE FGFR4 INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 EP disclosed
WO-2015057938-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
EP-2178861-B1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2014-08-20 EP disclosed
US-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 US disclosed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP disclosed
US-7544701-B2 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-06-09 US disclosed
US-7544701-B2 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-06-09 US disclosed
US-6468316-B1 DIRECT DYES HAVING COLORFASTNESS AND SOLUBILITY, USED FOR HUMAN HAIR L'OREAL S.A. (FR) 2002-10-22 US disclosed
US-6379398-B1 AROMATIC DIAMINES AS HAIR DYES L'OREAL (FR) 2002-04-30 US disclosed
US-6153120-A Bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 2000-11-28 US disclosed
EP-1020176-A2 Use of cationic bis-nitrobenzenes for dyeing of keratinic fibers, dyeing compositions and dyeing process L'OREAL (FR) 2000-07-19 EP disclosed
EP-0984006-A1 Cationic compounds, their use for the oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP disclosed
EP-0983996-A1 Cationic ortho-phenylenediamines, their use for oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP disclosed
US-5256823-A Lightfast yellow dyes CLAIROL INCORPORATED (US) 1993-10-26 US disclosed
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
US-5135543-A Lightfast blends; natural shades of yellow with sun exposure CLAIROL INCORPORATED (US) 1992-08-04 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 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-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MTOR, CDK1, MAP3K8 ALDH1A1 2293/4885NPSR1 2486/4885KAT2B 534/4885

“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.