SCHEMBL6011540

SCHEMBL6011540

Nc1ccc(-c2ccccc2[N+](=O)[O-])c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.59
TSHR P16473 3/20 0.59
ALDH1A1 P00352 7/20 0.55
CYP3A4 P08684 4/20 0.55
ALOX15 P16050 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
MAOB P27338 1/20 0.48
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 2/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
PDE7A Q13946 1/20 0.44
HSP90AA1 P07900 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
TP53 P04637 2/20 0.43

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 SCHEMBL6011674 0.98 TDP1 (0.58) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL10713922 0.89 ALDH1A1 (0.58) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL5685046 0.86 ALOX15 (0.61) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL6572263 0.86 ALDH1A1 (0.59) TDP1TSHRALDH1A1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL6574207 0.85 ALDH1A1 (0.58) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL2947942 0.83 TDP1 (0.59) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL12290279 0.83 TSHR (0.57) TDP1TSHRALDH1A1CYP3A4L3MBTL1
SCHEMBL29337154 0.82 ALDH1A1 (0.57) TDP1ALDH1A1CYP3A4ALOX15L3MBTL1
SCHEMBL6573424 0.80 MAPK1 (0.62) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL2425765 0.80 MGAM (0.44) TDP1TSHRALDH1A1CYP3A4L3MBTL1

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 TDP1 755/4885TSHR 4772/4885ALDH1A1 120/4885

“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.