SCHEMBL6852142

SCHEMBL6852142

Cc1ccccc1NNC(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.61
KDM4E B2RXH2 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
P2RX7 Q99572 8/20 0.48
CRHR1 P34998 1/20 0.47
HPGD P15428 1/20 0.44

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
SCHEMBL22989810 0.87 GAA (0.55) GAAKDM4ETDP1NPC1RAB9A
SCHEMBL16774987 0.83 GAA (0.52) GAAKDM4ETDP1NPC1RAB9A
SCHEMBL22989549 0.83 GAA (0.47) GAAKDM4ETDP1NPC1RAB9A
SCHEMBL1534089 0.83 NPC1 (0.58) NPC1RAB9AKMT2APOLBLMNA
SCHEMBL22989793 0.82 LMNA (0.53) GAAKDM4ETDP1NPC1RAB9A
SCHEMBL1586390 0.82 GAA (0.51) GAAKDM4ETDP1NPC1RAB9A
SCHEMBL29074243 0.82 GAA (0.51) GAAKDM4ETDP1NPC1RAB9A
SCHEMBL4371076 0.82 NPC1 (0.51) GAANPC1RAB9AMEN1KMT2A
SCHEMBL4365913 0.82 GAA (0.53) GAAKDM4ENPC1RAB9AMEN1
SCHEMBL31738259 0.82 GAA (0.51) GAAKDM4ETDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800097-B2 FOR DYEING KERATIN FIBERS; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-10-05 US claimed
US-6780998-B2 DEVELOPER-COUPLER SUBSTANCE COMBINATION HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-08-24 US claimed
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-04-17 US claimed
US-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-12-19 US claimed
US-6436152-B1 Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-08-20 US claimed
US-6800097-B2 FOR DYEING KERATIN FIBERS; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-10-05 US disclosed
US-6780998-B2 DEVELOPER-COUPLER SUBSTANCE COMBINATION HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-04-17 US disclosed
US-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-12-19 US disclosed
US-6436152-B1 Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-08-20 US 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-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, CYP1B1, ALDH7A1 GAA 4412/4885KDM4E 747/4885TDP1 1316/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC GAA 4405/4885KDM4E 1141/4885TDP1 779/4885

“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.