SCHEMBL6741125

SCHEMBL6741125

COc1ccc(N)c(NCc2cc(N)ccc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
APLNR P35414 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 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
SCHEMBL6739696 0.90 ALDH1A1 (0.41) DHFRALDH1A1CYP3A4LMNAGAA
SCHEMBL6270436 0.83 NR4A1 (0.50) ALDH1A1LMNAGAATDP1MAPK1
SCHEMBL6735144 0.80 SLC6A2 (0.37) DHFRALDH1A1MAPT
SCHEMBL6273612 0.80 MAPT (0.49) DHFRALDH1A1LMNAGAATDP1
SCHEMBL4315483 0.80 NCF1 (0.53) ALDH1A1LMNAGAATDP1MAPT
SCHEMBL6738673 0.80 GAA (0.42) DHFRALDH1A1CYP3A4LMNAGAA
SCHEMBL6268509 0.79 NOS1 (0.50) ALDH1A1CYP3A4MAPTHTTSMN1; SMN2
SCHEMBL23144861 0.79 MAPT (0.51) DHFRALDH1A1CYP3A4LMNAGAA
Hydrochloric Acid SCHEMBL6270858 0.78 BCHE (0.49) ALDH1A1CYP3A4MAPTHTTSMN1; SMN2
SCHEMBL6273540 0.78 MAPT (0.49) ALDH1A1CYP3A4GAAMAPK1MAPT

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-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
US-6602302-B1 Mixtures of carbocyclic amines such as 2-((2-aminophenylamino) -methyl)-1,4-diaminobenzene, couplers and developers, having photostability, wash and colorfastness, used for dyeing human hair WELLA AG (DE) 2003-08-05 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 DHFR 187/4885ALDH1A1 43/4885CYP3A4 988/4885

“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.