SCHEMBL6740865

SCHEMBL6740865

Cc1ccc(NCc2cc(N)ccc2N)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.50
MAPT P10636 6/20 0.42
ALDH1A1 P00352 6/20 0.38
ADRA2B P18089 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DHFR P00374 3/20 0.36
CYP3A4 P08684 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL6267263 0.89 ALDH1A1 (0.44) CASP1MAPTALDH1A1ADRA2BTDP1
Hydrochloric Acid SCHEMBL6270613 0.87 ALDH1A1 (0.42) CASP1MAPTALDH1A1ADRA2BTDP1
SCHEMBL6266435 0.86 ADRA2B (0.41) CASP1MAPTALDH1A1ADRA2BTDP1
SCHEMBL6270750 0.86 CASP1 (0.51) CASP1MAPTALDH1A1ADRA2BTDP1
Hydrochloric Acid SCHEMBL6269391 0.85 CASP1 (0.50) CASP1MAPTALDH1A1TDP1KMT2A
Benzene SCHEMBL6842631 0.84 MAPT (0.43) CASP1MAPTALDH1A1ADRA2BTDP1
SCHEMBL6267226 0.83 MAPT (0.47) CASP1MAPTALDH1A1ADRA2BTDP1
SCHEMBL2473779 0.83 ADRA2B (0.47) MAPTALDH1A1ADRA2BKMT2AKDM4E
Hydrochloric Acid SCHEMBL6849297 0.82 MAPT (0.46) CASP1MAPTALDH1A1ADRA2BTDP1
Hydrochloric Acid SCHEMBL2480911 0.81 ADRA2B (0.46) MAPTALDH1A1ADRA2BTDP1KMT2A

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 CASP1 904/4885MAPT 2345/4885ALDH1A1 43/4885

“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.