SCHEMBL6069199

SCHEMBL6069199

COc1ccc(N)c(Cc2ccc(N)cc2)c1N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CA2 P00918 1/20 0.40
ATM Q13315 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL6069384 0.86 IDO1 (0.46) ALDH1A1GAATDP1MAPTMAPK1
SCHEMBL6069318 0.83 ALDH1A1 (0.37) CYP19A1ALDH1A1GAATSHRCYP3A4
SCHEMBL6069604 0.81 GAA (0.47) CYP19A1ALDH1A1GAATSHRCYP3A4
SCHEMBL4528900 0.77 CYP3A4 (0.65) CYP19A1ALDH1A1GAATSHRCYP3A4
SCHEMBL10702996 0.77 CYP3A4 (0.48) CYP19A1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL27945532 0.76 IDO1 (0.44) CYP19A1ALDH1A1GAATSHRCYP3A4
SCHEMBL8142830 0.75 ALDH1A1 (0.85) CYP19A1ALDH1A1GAATSHRCYP3A4
SCHEMBL31457288 0.75 ALDH1A1 (0.85) CYP19A1ALDH1A1GAATSHRCYP3A4
4,4'-Methylenedianiline SCHEMBL11059440 0.75 ALDH1A1 (0.85) CYP19A1ALDH1A1GAATSHRCYP3A4
SCHEMBL6069500 0.75 ALDH1A1 (0.46) ALDH1A1GAATSHRCYP3A4TDP1

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 3 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-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 CYP19A1 3876/4885ALDH1A1 601/4885GAA 2544/4885

“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.