SCHEMBL6738673

SCHEMBL6738673

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
DHFR P00374 4/20 0.38
ACHE P22303 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL6743449 0.89 HDAC6 (0.46) GAAMAPTTDP1MAPK1LMNA
SCHEMBL6744217 0.81 CASP1 (0.44) GAAMAPTMAPK1LMNATSHR
SCHEMBL6267226 0.81 MAPT (0.47) GAAMAPTTDP1MAPK1LMNA
SCHEMBL6266347 0.81 MAPT (0.43) MAPTTDP1MAPK1LMNASMN1; SMN2
SCHEMBL6734157 0.80 TSHR (0.39) TDP1TSHRSMN1; SMN2TP53CYP3A4
Hydrochloric Acid SCHEMBL6849297 0.80 MAPT (0.46) GAAMAPTTDP1MAPK1LMNA
Hydrochloric Acid SCHEMBL6740118 0.80 MAPT (0.42) GAAMAPTTDP1MAPK1LMNA
SCHEMBL6739905 0.80 EGFR (0.38) MAPTTDP1TSHRCYP3A4THRB
SCHEMBL6741125 0.80 DHFR (0.42) GAAMAPTTDP1MAPK1LMNA
SCHEMBL6269483 0.79 MAPT (0.43) GAAMAPTTDP1LMNASMN1; SMN2

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 GAA 4499/4885MAPT 2345/4885TDP1 964/4885

“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.