SCHEMBL6742538

SCHEMBL6742538

COc1cccc(N)c1NCc1cc(N)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
MAPT P10636 6/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 8/20 0.40
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 4/20 0.38
POLB P06746 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
APP P05067 2/20 0.38
HPGD P15428 2/20 0.37
RCE1 Q9Y256 1/20 0.37
CYP19A1 P11511 1/20 0.35

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
SCHEMBL7203333 0.94 ALDH1A1 (0.38) GAAMAPTTSHRMAPK1HTT
SCHEMBL6742217 0.82 L3MBTL1 (0.43) GAAMAPTTSHRMAPK1HTT
SCHEMBL6739375 0.81 TSHR (0.34) GAAMAPTTSHRHTTALDH1A1
SCHEMBL6273540 0.81 MAPT (0.49) GAAMAPTTSHRMAPK1HTT
SCHEMBL6740071 0.81 CASP1 (0.36) GAAMAPTTSHRMAPK1HTT
SCHEMBL6273612 0.78 MAPT (0.49) GAAMAPTTSHRMAPK1HTT
SCHEMBL6734255 0.78 BCHE (0.34) GAAMAPTTSHRHTTALDH1A1
SCHEMBL6741742 0.78 PLAU (0.38) GAAMAPTTSHRMAPK1ALDH1A1
SCHEMBL6268509 0.77 NOS1 (0.50) MAPTHTTALDH1A1KDM4EMEN1
SCHEMBL6272864 0.77 ALDH1A1 (0.48) GAAMAPTTSHRMAPK1HTT

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-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US disclosed
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP disclosed
EP-1108708-A1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds Wella Aktiengesellschaft (DE) 2001-06-20 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 (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-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO GAA 4499/4885MAPT 2345/4885TSHR 4650/4885

“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.