SCHEMBL6740883

SCHEMBL6740883

Nc1ccc(N)c(CNc2ccc(Cl)c(N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 3/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 3/20 0.38
ADRA2B P18089 1/20 0.38
TP53 P04637 1/20 0.37
DHFR P00374 2/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 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
SCHEMBL6270875 0.89 CYP3A4 (0.43) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL6266435 0.86 ADRA2B (0.41) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL6272111 0.83 MEN1 (0.47) MAPTMEN1KMT2ACYP3A4PLA2G1B
SCHEMBL2473779 0.83 ADRA2B (0.47) MAPTMEN1KMT2AL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL6856018 0.82 MEN1 (0.46) MAPTMEN1KMT2ACYP3A4PLA2G1B
Hydrochloric Acid SCHEMBL2480911 0.81 ADRA2B (0.46) MAPTMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL6740865 0.81 CASP1 (0.50) MAPTMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL6734684 0.81 EGFR (0.44) MAPTADRA2BCA12CA1CA2
SCHEMBL6734215 0.80 CYP3A4 (0.41) MEN1KMT2AL3MBTL1CYP3A4TSHR
SCHEMBL6270658 0.79 MAOB (0.46) MAPTMEN1KMT2AL3MBTL1CYP1A2

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 MAPT 2345/4885MEN1 2715/4885KMT2A 1779/4885

“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.