SCHEMBL6069097

SCHEMBL6069097

COCCOc1ccc(N)c(Cc2ccccc2N)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ RCE1 Q9Y256 1/20 0.32

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
SCHEMBL6069244 0.84 TLR7 (0.43) CYP1A2CYP2C9CYP2C19TLR7L3MBTL1
SCHEMBL6069500 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1KDM4EMAPT
SCHEMBL6069318 0.78 ALDH1A1 (0.37) TLR7ALDH1A1TDP1KDM4EMAPT
SCHEMBL6069298 0.77 ALDH1A1 (0.36) TLR7ALDH1A1KDM4EMAPTTP53
SCHEMBL27603756 0.74 ALDH1A1 (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL31172404 0.73 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL2846218 0.73 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL1029928 0.72 CYP1A2 (0.66) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL29684634 0.72 CYP1A2 (0.66) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL23352277 0.72 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19KDM4ELMNA

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-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 — — US claimed
CN-1529691-A N-benzyl-m-phenylenediamine derivatives and colorants containing these compounds P&G 2004-09-15 — — CN 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 CYP1A2 2895/4885CYP2C9 2928/4885CYP2C19 3985/4885

“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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