SCHEMBL6269481

SCHEMBL6269481

Nc1ccc(N)c(CNc2ccc(N)c(NCCO)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.35
FCGR3B O75015 1/20 0.34
FCGR1A P12314 1/20 0.34
FCGR2A P12318 1/20 0.34
PRSS1 P07477 8/20 0.32
ALDH1A1 P00352 1/20 0.32
HDAC4 P56524 1/20 0.31
MEF2D Q14814 1/20 0.31
EGFR P00533 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6272263 0.88 ADRA2B (0.44) ADRA2BFCGR3BFCGR1AFCGR2APRSS1
SCHEMBL6271319 0.84 FCGR3B (0.40) ADRA2BFCGR3BFCGR1AFCGR2AALDH1A1
SCHEMBL6272151 0.82 CA12 (0.41) FCGR3BFCGR1AFCGR2APRSS1ALDH1A1
SCHEMBL6657713 0.81 KMT2A (0.37) FCGR3BFCGR1AFCGR2APRSS1KMT2A
SCHEMBL7816016 0.81 ADRA2B (0.40) ADRA2BFCGR3BFCGR1AFCGR2APRSS1
SCHEMBL6739725 0.81 ADRA2B (0.37) ADRA2BFCGR3BFCGR1AFCGR2AALDH1A1
Hydrochloric Acid SCHEMBL6271307 0.79 ADRA2B (0.36) ADRA2BFCGR3BFCGR1AFCGR2AEGFR
SCHEMBL6739060 0.78 ADRA2B (0.38) ADRA2BFCGR3BFCGR1AFCGR2AEGFR
SCHEMBL6266435 0.78 ADRA2B (0.41) ADRA2BALDH1A1EGFRKMT2AMAPT
SCHEMBL6269476 0.78 ADRA2B (0.33) ADRA2BMAPT

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 14 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 claimed
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
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 EP claimed
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 ADRA2B 1384/4885FCGR3B 4685/4885FCGR1A 4558/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC ADRA2B 2238/4885FCGR3B 4861/4885FCGR1A 4809/4885

“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.