SCHEMBL6734397

SCHEMBL6734397

Cc1cc(N)cc(NCc2cc(N)ccc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
ADRA2B P18089 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
THRB P10828 2/20 0.34
CASP1 P29466 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL6267226 0.83 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1POLBADRA2B
SCHEMBL6271916 0.83 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1POLBMEN1
Hydrochloric Acid SCHEMBL6849297 0.82 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1POLBADRA2B
SCHEMBL6742862 0.81 ADRA2B (0.38) MAPTALDH1A1ADRA2BMEN1KMT2A
SCHEMBL6740904 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TSHRADRA2BMEN1
SCHEMBL2473779 0.79 ADRA2B (0.47) MAPTSMN1; SMN2ALDH1A1POLBADRA2B
SCHEMBL6267263 0.79 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1TSHRADRA2B
SCHEMBL7160019 0.79 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2473372 0.78 MAPT (0.44) MAPTALDH1A1ADRA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL2480911 0.78 ADRA2B (0.46) MAPTSMN1; SMN2ALDH1A1POLBADRA2B

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 2345/4885SMN1; SMN2 4120/4885ALDH1A1 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.