SCHEMBL6743449

SCHEMBL6743449

Cc1ccc(NCc2cc(N)ccc2N)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
TDP1 Q9NUW8 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
SLC6A4 P31645 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 4/20 0.37
APP P05067 1/20 0.36
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 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
SCHEMBL6738673 0.89 GAA (0.42) HDAC6TDP1SMN1; SMN2ALOX15TP53
SCHEMBL6269549 0.88 PRSS1 (0.40) HDAC6TDP1ALOX15THRBMAPT
SCHEMBL6266347 0.83 MAPT (0.43) TDP1SMN1; SMN2CYP3A4THRBMAPT
Hydrochloric Acid SCHEMBL6740118 0.82 MAPT (0.42) TDP1SMN1; SMN2CYP3A4THRBMAPT
SCHEMBL6734234 0.81 PRSS1 (0.38) TDP1ALOX15CYP3A4THRBMAPT
SCHEMBL6744214 0.81 ALDH1A1 (0.42) TDP1SMN1; SMN2ALOX15TP53CYP3A4
SCHEMBL6739696 0.80 ALDH1A1 (0.41) TDP1SMN1; SMN2CYP3A4THRBMAPT
SCHEMBL6267226 0.80 MAPT (0.47) TDP1SMN1; SMN2ALOX15THRBMAPT
SCHEMBL6744217 0.80 CASP1 (0.44) HDAC6CYP3A4MAPTGAATSHR
Hydrochloric Acid SCHEMBL6849297 0.79 MAPT (0.46) TDP1SMN1; SMN2ALOX15THRBMAPT

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 HDAC6 2717/4885TDP1 964/4885SMN1; SMN2 4120/4885

“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.