SCHEMBL6739696

SCHEMBL6739696

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 3/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
DHFR P00374 3/20 0.40
TDP1 Q9NUW8 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
MAPK1 P28482 1/20 0.39
APLNR P35414 1/20 0.37

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
SCHEMBL6741125 0.90 DHFR (0.42) ALDH1A1MAPTHTTCYP3A4MEN1
SCHEMBL6269549 0.84 PRSS1 (0.40) ALDH1A1MAPTHTTTHRBGAA
SCHEMBL6270436 0.82 NR4A1 (0.50) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6273612 0.82 MAPT (0.49) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL6742220 0.81 SLC6A2 (0.36) ALDH1A1MAPTTDP1RECQL
SCHEMBL6743449 0.80 HDAC6 (0.46) ALDH1A1MAPTCYP3A4THRBGAA
SCHEMBL6268509 0.78 NOS1 (0.50) ALDH1A1MAPTHTTCYP3A4MEN1
Hydrochloric Acid SCHEMBL6270858 0.77 BCHE (0.49) ALDH1A1MAPTHTTCYP3A4MEN1
SCHEMBL23630654 0.77 CASR (0.49) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL30181799 0.77 CASR (0.49) ALDH1A1MAPTCYP3A4MEN1KMT2A

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 ALDH1A1 43/4885MAPT 2345/4885HTT 3123/4885

“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.