SCHEMBL4459975

SCHEMBL4459975

Nc1ccc(CCO)c(N)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 5/20 0.34
CYP3A4 P08684 4/20 0.34
ALOX15 P16050 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL354095 0.89 TSHR (0.43) TSHRPOLBHTTKMT2AALDH1A1
SCHEMBL5710258 0.86 TSHR (0.44) TSHRPOLBHTTKMT2AMEN1
SCHEMBL4650014 0.85 TSHR (0.43) TSHRPOLBHTTKMT2AMEN1
SCHEMBL13726953 0.81 TSHR (0.43) TSHRPOLBHTTKMT2AMEN1
SCHEMBL22833863 0.80 TSHR (0.42) TSHRPOLBHTTKMT2AMEN1
SCHEMBL1436652 0.79 TSHR (0.41) TSHRPOLBHTTKMT2AMEN1
SCHEMBL1933923 0.79 TSHR (0.47) TSHRPOLBKMT2AMEN1USP2
SCHEMBL872694 0.78 TSHR (0.40) TSHRPOLBHTTGAATHRB
SCHEMBL29377050 0.78 TSHR (0.40) TSHRPOLBHTTGAATHRB
SCHEMBL8992757 0.77 TSHR (0.42) TSHRPOLBHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP claimed
EP-1292271-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 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
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS 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-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed
WO-2001089460-A2 COLORANT FOR 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
US-12178897-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations HENKEL AG & CO. KGAA (DE) 2024-12-31 US disclosed
US-12109291-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations HENKEL AG & CO. KGAA (DE) 2024-10-08 US disclosed
US-12102704-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations HENKEL AG & CO. KGAA (DE) 2024-10-01 US disclosed
US-12097274-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations HENKEL AG & CO. KGAA (DE) 2024-09-24 US disclosed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO disclosed
WO-2001047485-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO disclosed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO disclosed
EP-0578665-B1 HAIR COLOURANTS WITH DIRECT DYES HENKEL KGAA (DE) 1994-12-21 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 (4 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-12109291-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations KRT18, ALDH5A1, ALDH2 TSHR 4836/4885POLB 281/4885HTT 3812/4885
US-12102704-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations KRT18, ALDH5A1, ALDH2 TSHR 4819/4885POLB 304/4885HTT 3644/4885
US-12097274-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations KRT18, ALDH5A1, COX5A TSHR 4771/4885POLB 233/4885HTT 3275/4885
US-12178897-B2 Oxidative dyeing agent for keratin fibers comprising novel dye precursor combinations KRT18, ALDH5A1, COX5A TSHR 4846/4885POLB 358/4885HTT 3701/4885

“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.