SCHEMBL4640284

SCHEMBL4640284

Cc1ccc(NCO)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.64
TSHR P16473 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KCNMA1 Q12791 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HCAR3 P49019 1/20 0.50
LMNA P02545 5/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL29377506 0.87 KAT2B (0.69) KAT2BTSHRCYP3A4ALDH1A1MAPT
SCHEMBL24076 0.87 KAT2B (0.69) KAT2BTSHRCYP3A4ALDH1A1MAPT
SCHEMBL11463783 0.86 KAT2B (0.62) KAT2BTSHRCYP3A4ALDH1A1MAPT
SCHEMBL6250970 0.85 KAT2B (0.66) KAT2BTSHRCYP3A4ALDH1A1MAPT
SCHEMBL29580274 0.84 KAT2B (0.74) KAT2BTSHRALDH1A1MAPTTDP1
SCHEMBL4858189 0.84 KAT2B (0.74) KAT2BTSHRALDH1A1MAPTTDP1
SCHEMBL16449995 0.83 LMNA (0.60) KAT2BALDH1A1MAPTTDP1KCNMA1
SCHEMBL4863416 0.83 KAT2B (0.72) KAT2BTSHRALDH1A1MAPTTDP1
SCHEMBL8655505 0.82 KAT2B (0.56) KAT2BTSHRCYP3A4ALDH1A1MAPT
SCHEMBL18680085 0.82 KAT2B (0.56) KAT2BTSHRCYP3A4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371353-B1 Thickened cationic cosmetic composition comprising inulin WELLA AG (DE) 2008-08-06 EP disclosed
EP-1287812-B1 Method of simultaneously dyeing and permanent waving the hair WELLA AG (DE) 2006-04-05 EP disclosed
US-20050232888-A1 Cosmetic compositions for hair care WELLA AG (DE) 2005-10-20 US disclosed
US-6945254-B2 Method for simultaneously dyeing and permanent shaping of hair WELLA AKTIENGESELLSCHAFT (DE) 2005-09-20 US disclosed
EP-1371353-A1 Thickened cationic cosmetic composition comprising inulin Wella Aktiengesellschaft (DE) 2003-12-17 EP disclosed
US-20030084518-A1 Method for simultaneously dyeing and permanent shaping of hair HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-08 US disclosed
EP-1287812-A2 Method of simultaneously dyeing and permanent waving the hair Wella Aktiengesellschaft (DE) 2003-03-05 EP disclosed
EP-0863739-B1 HAIR DYE WELLA AG (DE) 2002-04-17 EP disclosed
EP-0857476-A1 Use of tanning agents to extend the shelf life of hair dyes Wella Aktiengesellschaft (DE) 1998-08-12 EP disclosed
EP-0852942-A1 Composition for dyeing and tinting hair Wella Aktiengesellschaft (DE) 1998-07-15 EP disclosed
EP-0821935-A2 Composition for dyeing and tinting hair Wella Aktiengesellschaft (DE) 1998-02-04 EP disclosed
EP-0806199-A2 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1997-11-12 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 (2 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-20050232888-A1 Cosmetic compositions for hair care H1-0, H1-10, H1-2 KAT2B 141/4885TSHR 2216/4885CYP3A4 4254/4885
US-20030084518-A1 Method for simultaneously dyeing and permanent shaping of hair KRT18, KMO, TYR KAT2B 533/4885TSHR 2074/4885CYP3A4 382/4885

“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.