SCHEMBL6011395

SCHEMBL6011395

Nc1ccc(-c2ccc([N+](=O)[O-])cc2)c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 1/20 0.54
TLR9 Q9NR96 1/20 0.54
TDP1 Q9NUW8 5/20 0.52
CYP3A4 P08684 4/20 0.52
TSHR P16473 2/20 0.52
ALOX15 P16050 1/20 0.52
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GAA P10253 1/20 0.44

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 SCHEMBL6011607 0.98 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL5852345 0.89 CYP3A4 (0.56) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6921930 0.87 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL28853951 0.86 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL5684890 0.86 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL6573069 0.86 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8781022 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL31219322 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL28650535 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8785333 0.83 MAPT (0.68) ALDH1A1KMT2AMEN1MAPTLMNA

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 8 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
CN-110573240-B Selectively permeable graphene oxide membranes 日东电工株式会社 2022-11-22 CN disclosed
CN-110573240-A selectively permeable graphene oxide membranes 日东电工株式会社 2019-12-13 CN disclosed
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 120/4885KMT2A 271/4885MEN1 3507/4885

“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.