SCHEMBL4162102

SCHEMBL4162102

NC(=O)N(N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CRHBP P24387 1/20 0.48
ATM Q13315 1/20 0.48
CRHR2 Q13324 1/20 0.48
TLR9 Q9NR96 1/20 0.48
CES1 P23141 2/20 0.48
PLAU P00749 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NOS1 P29475 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL1177204 0.86 TSHR (0.57) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL28171537 0.85 ALDH1A1 (0.53) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL7035059 0.83 MAPK1 (0.53) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL27552505 0.81 NPSR1 (0.36) TSHRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15994168 0.81 TSHR (0.55) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL11291473 0.80 ALDH1A1 (0.62) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL878321 0.79 TSHR (0.53) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL15659596 0.79 TSHR (0.53) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL27850590 0.79 TSHR (0.53) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL6792424 0.79 TSHR (0.49) TSHRLMNAGAAALDH1A1MEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660022-B1 AGENT FOR COLOURING KERATIN FIBRES HFC PRESTIGE INT HOLDING SWITZERLAND S A R L (CH) 2017-04-12 EP claimed
US-20090056039-A1 DYE-CONTAINING PELLETS FOR COLORING KERATIN FIBERS HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2009-03-05 US claimed
US-20170273881-A1 COSMETIC COMPOSITION FOR KERATIN FIBRES ALFA PARF GROUP S.P.A. (IT) 2017-09-28 US disclosed
US-20160250118-A1 METHOD AND COMPOSITION TO REMODELLING KERATINIC FIBER ALFA PARF GROUP S.P.A. (IT) 2016-09-01 US disclosed
WO-2016026710-A1 COSMETIC COMPOSITION FOR KERATIN FIBRES ALFA PARF GROUP S.P.A. (IT) 2016-02-25 WO disclosed
US-7431742-B2 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-10-07 US disclosed
EP-1877031-A2 HAIR COLOURING KITS AND METHODS OF USE THEREOF The Procter and Gamble Company (US) 2008-01-16 EP disclosed
US-20070251025-A1 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY 2007-11-01 US disclosed
US-20070017039-A1 Methods of merchandising hair color refresher products PROCTER & GAMBLE COMPANY, THE 2007-01-25 US disclosed
WO-2006118942-A2 HAIR COLOURING KITS AND METHODS OF USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-11-09 WO disclosed
EP-1140917-B1 S-OXIDE LIPID LOWERING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2003-03-26 EP disclosed
US-6451802-B1 S-oxide lipid lowering compounds JANSSEN PHARMACEUTICA N.V. (BE) 2002-09-17 US disclosed
EP-1140917-A1 S-OXIDE LIPID LOWERING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2001-10-10 EP disclosed
WO-2000037463-A1 S-OXIDE LIPID LOWERING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2000-06-29 WO disclosed
US-4490530-A ANTIFUNGAL, ANTIBACTERIAL JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-25 US disclosed
EP-0006711-B1 HETEROCYCLIC DERIVATIVES OF (4-PHENYLPIPERAZIN-1-YL-ARYLOXYMETHYL-1,3-DIOXOLAN-2-YL)-METHYL-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-10-26 EP disclosed
US-4368200-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-11 US disclosed
US-4267179-A AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-05-12 US disclosed
EP-0006711-A1 Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 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 (3 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-20160250118-A1 METHOD AND COMPOSITION TO REMODELLING KERATINIC FIBER KRT18, FABP2, CPT1A TSHR 2595/4885LMNA 176/4885GAA 4868/4885
US-20170273881-A1 COSMETIC COMPOSITION FOR KERATIN FIBRES KRT18, GRHPR, CUTA TSHR 4753/4885LMNA 697/4885GAA 605/4885
US-20070251025-A1 Hair coloring kits and methods of use thereof COXFA4L2, SQOR, GPX4 TSHR 3700/4885LMNA 1608/4885GAA 3681/4885

“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.