SCHEMBL6272033

SCHEMBL6272033

COCCNCc1cc(N)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.41
BACE1 P56817 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CA2 P00918 5/20 0.37
PTGER4 P35408 1/20 0.36
HTR2A P28223 1/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 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
Hydrochloric Acid SCHEMBL6272498 0.98 HTT (0.53) HTTL3MBTL1BACE1BACE2MAPT
SCHEMBL6340679 0.88 HTT (0.55) HTTL3MBTL1BACE1BACE2MAPT
Hydrochloric Acid SCHEMBL6336429 0.87 HTT (0.58) HTTL3MBTL1BACE1BACE2MAPT
SCHEMBL8034481 0.84 HTT (0.48) HTTL3MBTL1BACE1BACE2CA2
Hydrochloric Acid SCHEMBL7598785 0.83 HTT (0.50) HTTMAPTALDH1A1HTR2AGAA
SCHEMBL6269355 0.81 SLC6A4 (0.44) HTTMAPTALDH1A1CA2HTR2A
SCHEMBL22716808 0.81 HTT (0.50) HTTL3MBTL1MAPTTSHRMEN1
Hydrochloric Acid SCHEMBL6855463 0.79 SLC6A4 (0.43) HTTMAPTALDH1A1CA2HTR2A
SCHEMBL7460839 0.79 HTT (0.41) HTTL3MBTL1BACE1BACE2MAPT
SCHEMBL6269123 0.79 MC4R (0.40) ALDH1A1CA2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116711-B1 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds WELLA AG (DE) 2005-12-14 EP disclosed
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
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 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-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, CYP1B1, ALDH7A1 HTT 2590/4885L3MBTL1 4322/4885BACE1 1636/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC HTT 2716/4885L3MBTL1 4360/4885BACE1 1520/4885

“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.