SCHEMBL6853917

SCHEMBL6853917

Nc1ccc(N)c(CNC(CC(=O)O)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ MEP1B Q16820 2/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA1 P00915 2/20 0.36
▸ PDCD1 Q15116 2/20 0.36
▸ CD274 Q9NZQ7 2/20 0.36
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34

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 SCHEMBL6854312 0.99 MEN1 (0.39) MEN1KMT2AMAPTGAAPOLB
SCHEMBL4261937 0.87 MEN1 (0.42) MEN1KMT2AMAPTGAARECQL
SCHEMBL6854216 0.80 FNTA (0.47) GAAPKMCA2CA1
Hydrochloric Acid SCHEMBL6853556 0.79 FNTA (0.47) GAAPKMCA2CA1
SCHEMBL11586552 0.78 ITGB1 (0.50) MAPTGAAPOLBTDP1MEP1B
SCHEMBL6272656 0.78 PDCD1 (0.38) MEN1KMT2AMAPTPOLBRECQL
Hydrochloric Acid SCHEMBL6268555 0.77 PDCD1 (0.37) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL4259383 0.73 FOLH1 (0.43) MEN1KMT2AGAAMEP1BCA2
SCHEMBL6272486 0.73 MAPT (0.42) MEN1KMT2AMAPTGAAPOLB
SCHEMBL12311004 0.72 GAA (0.53) MAPTGAAMEP1BCA2CA1

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 5 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 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 MEN1 2328/4885KMT2A 1863/4885MAPT 3205/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC MEN1 2231/4885KMT2A 1628/4885MAPT 3672/4885

“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.

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