SCHEMBL4603246

SCHEMBL4603246

C=C1N(C)c2cc(NC(C)=O)c(OC)cc2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MPI P34949 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
BRPF1 P55201 1/20 0.35

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
Acetic Acid SCHEMBL10404992 0.82 MPI (0.44) MEN1KMT2AMPITDP1ALDH1A1
SCHEMBL4604551 0.79 MPI (0.47) MPITDP1ALDH1A1
SCHEMBL10882989 0.74 MAPT (0.37) MEN1KMT2ATDP1GAAALDH1A1
SCHEMBL4602903 0.74 TDP1 (0.52) MEN1KMT2AMPITDP1GAA
SCHEMBL4603531 0.73 MAPT (0.56) MEN1KMT2AMPITDP1ALDH1A1
SCHEMBL4602853 0.71 TDP1 (0.56) MEN1KMT2AMPITDP1GAA
SCHEMBL4602740 0.69 LMNA (0.37) MEN1KMT2AMPITDP1ALDH1A1
SCHEMBL7956482 0.69 MEN1 (0.65) MEN1KMT2AGAAALDH1A1HSD17B1
SCHEMBL4604057 0.66 MPI (0.49) MEN1KMT2AMPITDP1
SCHEMBL9196057 0.65 MEN1 (0.53) MEN1KMT2AGAAALDH1A1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194633-B1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AG (DE) 2008-04-30 EP claimed
EP-1341503-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-02-13 EP claimed
EP-1227786-B1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AG (DE) 2005-08-24 EP claimed
US-6835212-B2 Compound with a nucleophilic reaction center, aryl alcohol or benzyl alcohol derivatives and an oxidizing enzyme WELLA AKTIENGESELLSCHAFT (DE) 2004-12-28 US claimed
US-6669739-B2 Agent for coloring fibers and method for temporarily coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-12-30 US claimed
US-6652601-B2 For dyeing and subsequently decolorizing fibers such as keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-11-25 US claimed
EP-1341503-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-09-10 EP claimed
US-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-05-01 US claimed
US-20030041391-A1 Agent and method for dyeing keratin fibres Wella GmbH (DE) 2003-03-06 US claimed
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-11-21 US claimed
EP-1227786-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE Wella Aktiengesellschaft (DE) 2002-08-07 EP claimed
WO-2002047633-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-06-20 WO claimed
EP-1194633-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS Wella Aktiengesellschaft (DE) 2002-04-10 EP claimed
WO-2001086057-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO claimed
WO-2001062219-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AKTIENGESELLSCHAFT (DE) 2001-08-30 WO claimed
EP-1194633-B1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AG (DE) 2008-04-30 EP disclosed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP disclosed
WO-2002047633-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-06-20 WO disclosed
EP-1194633-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS Wella Aktiengesellschaft (DE) 2002-04-10 EP disclosed
WO-2001086057-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO 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-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative IDO1, IDO2, KIT MEN1 1860/4885KMT2A 719/4885MPI 1286/4885
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers ENO1, H1-5, H1-2 MEN1 1144/4885KMT2A 943/4885MPI 2220/4885
US-20030041391-A1 Agent and method for dyeing keratin fibres KRT18, AKR7A2, ADH5 MEN1 4837/4885KMT2A 651/4885MPI 1902/4885

“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.