SCHEMBL6069604

SCHEMBL6069604

COc1ccc(N)c(Cc2cccc(N)c2)c1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.47
PDE10A Q9Y233 1/20 0.43
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CA2 P00918 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CYP19A1 P11511 3/20 0.38
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.37
EP300 Q09472 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL6069298 0.85 ALDH1A1 (0.36) GAAALDH1A1PDE10AMAPTHTT
SCHEMBL6069384 0.84 IDO1 (0.46) GAAALDH1A1MAPTMAPK1HTT
SCHEMBL6069199 0.81 CYP19A1 (0.49) GAAALDH1A1MAPTTSHRMAPK1
SCHEMBL29067121 0.78 CA2 (0.69) GAAALDH1A1MAPTHTTCA2
SCHEMBL6069526 0.76 MAOB (0.42) ALDH1A1CA2CYP3A4MAOAMAOB
SCHEMBL2990519 0.76 MAOB (0.44) ALDH1A1TSHRCA2CYP3A4MAOA
Hydrochloric Acid SCHEMBL2981078 0.74 MAOB (0.46) TSHRCA2CYP3A4MAOAMAOB
SCHEMBL16113498 0.74 GAA (0.45) GAAALDH1A1MAPTCA2MAOB
SCHEMBL6069500 0.73 ALDH1A1 (0.46) GAAALDH1A1MAPTTSHRMAPK1
SCHEMBL9177757 0.73 ALDH1A1 (0.51) GAAALDH1A1MAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 US claimed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 US claimed
US-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 US disclosed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 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 (1 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-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds KRT18, VIM, KPNB1 GAA 2544/4885ALDH1A1 601/4885PDE10A 3777/4885

“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.