SCHEMBL6011389

SCHEMBL6011389

N#Cc1ccc(-c2ccc(N)cc2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.41
EGLN2 Q96KS0 4/20 0.40
APP P05067 1/20 0.40
MAP4K4 O95819 2/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
STS P08842 1/20 0.39
CYP11B2 P19099 2/20 0.38
KIF11 P52732 2/20 0.37
PTGS1 P23219 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 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
Hydrochloric Acid SCHEMBL6011736 0.98 MMP3 (0.39) MMP3EGLN2APPMAP4K4CA12
SCHEMBL31466927 0.85 APP (0.36) EGLN2APPALDH1A1
Hydrochloric Acid SCHEMBL6574831 0.83 MMP3 (0.39) MMP3EGLN2APPMAP4K4CA12
SCHEMBL5685041 0.83 MMP3 (0.48) MMP3EGLN2APPMAP4K4CA12
SCHEMBL17629923 0.81 EGLN2 (0.43) MMP3EGLN2APPMAP4K4CA12
SCHEMBL7110120 0.81 EGLN2 (0.43) MMP3EGLN2APPMAP4K4CYP11B2
SCHEMBL21296 0.81 TDP1 (0.50) APPKIF11ALDH1A1
SCHEMBL6011527 0.80 ADRA2C (0.53) MAP4K4
SCHEMBL30494512 0.79 MMP3 (0.46) MMP3EGLN2MAP4K4CA12CA2
SCHEMBL30153654 0.79 MMP3 (0.46) MMP3EGLN2MAP4K4CA12CA2

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 MMP3 2700/4885EGLN2 4407/4885APP 3716/4885

“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.