SCHEMBL2024927

SCHEMBL2024927

Nc1c([N+](=O)[O-])cc2cccc3c2c1CC3

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CTSB P07858 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
CASP6 P55212 1/20 0.36
LMNA P02545 2/20 0.35
MAPK10 P53779 1/20 0.34
RIPK1 Q13546 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 2/20 0.34
ACHE P22303 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TYMS P04818 1/20 0.34

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
SCHEMBL7747615 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15HSD17B10CTSB
SCHEMBL4221299 0.78 ALDH1A1 (0.58) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL6155324 0.76 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL5376486 0.70 TDP1 (0.49) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
Acenaphthene SCHEMBL28242769 0.67 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3065809 0.66 CASP6 (0.59) ALDH1A1CYP3A4ALOX15CTSBTDP1
SCHEMBL267240 0.66 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15HSD17B10CTSB
SCHEMBL29539827 0.66 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15HSD17B10CTSB
SCHEMBL11765124 0.66 TYMS (0.46) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL28653355 0.66 CYP11B1 (0.39) ALDH1A1CYP3A4HSD17B10TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 US claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP claimed
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 EP claimed
EP-1292271-B1 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KGAA (DE) 2006-11-08 EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
EP-1433469-B1 Composition for dyeing keratinous fibres HENKEL KGAA (DE) 2006-10-11 EP claimed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP claimed
EP-1200050-A2 DYEING AGENT FOR KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP claimed
EP-1199065-A2 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 2002-04-24 EP claimed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
WO-2001097762-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
WO-2001097754-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN, CONTAINING AT LEAST ONE QUINOXALINE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
WO-2001089460-A2 COLORANT FOR FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed
WO-2001047485-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO claimed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO claimed

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-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ALDH1A1 780/4885CYP3A4 3197/4885ALOX15 4450/4885

“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.