SCHEMBL6011390

SCHEMBL6011390

Nc1ccc(-c2ccc(Br)cc2)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CASP1 P29466 1/20 0.38
EPRS1 P07814 1/20 0.37
USP2 O75604 1/20 0.37
GPR35 Q9HC97 1/20 0.37
APP P05067 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
GSK3B P49841 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLK4 O00444 1/20 0.35
AURKA O14965 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
SCHEMBL5899210 0.86 GPR35 (0.47) ALDH1A1MAPK1ALOX15MAPTMEN1
SCHEMBL31183015 0.86 GPR35 (0.47) ALDH1A1MAPK1ALOX15MAPTMEN1
SCHEMBL21296 0.86 TDP1 (0.50) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL16694261 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1ALOX15MAPTMEN1
Hydrochloric Acid SCHEMBL454327 0.84 TDP1 (0.48) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL14906927 0.84 GPR35 (0.48) ALDH1A1MAPK1ALOX15MAPTMEN1
Hydrochloric Acid SCHEMBL10585395 0.84 TDP1 (0.48) ALDH1A1MAPK1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL6207950 0.84 TDP1 (0.48) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL6572736 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1ALOX15MAPTMEN1
SCHEMBL28202784 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1ALOX15MAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP claimed
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP disclosed
US-7056347-B2 Coloring agents for keratin fibers containing (1,1′-biphenyl)-2,4-diamine derivatives in addition to novel (1,1′-biphenyl)-2,4-diamine-derivatives WELLA AG (DE) 2006-06-06 US disclosed
EP-1355619-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2003-10-29 EP disclosed
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-18 US disclosed
WO-2002062307-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-08-15 WO 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-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives KRT18, DSP, DSG1 ALDH1A1 120/4885MAPK1 116/4885ALOX15 4794/4885

“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.