SCHEMBL4611265

SCHEMBL4611265

CCCCCNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ALOX12 P18054 2/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
TLR8 Q9NR97 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
DDX3X O00571 1/20 0.50
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL3476083 0.98 ALDH1A1 (0.51) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL5605034 0.98 ALDH1A1 (0.51) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL2010242 0.95 MAPT (0.56) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL5880840 0.89 ALDH1A1 (0.56) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL11291923 0.85 MEN1 (0.50) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL11164763 0.84 ALDH1A1 (0.56) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL11158043 0.84 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6226767 0.84 MAPT (0.53) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL6231289 0.84 MAPT (0.53) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL11114872 0.83 MEN1 (0.51) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240231230-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-07-11 US disclosed
US-8372840-B2 Potassium channel blockers XENTION LIMITED (GB) 2013-02-12 US disclosed
US-20100087438-A1 New Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
EP-1982749-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter and Gamble Company (US) 2008-10-22 EP disclosed
EP-1982748-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter & Gamble (US) 2008-10-22 EP disclosed
EP-1480605-B1 HAIR COLORING COMPOSITIONS BASED ON DIAMINOPYRAZOLE COMPOUNDS PROCTER & GAMBLE (US) 2008-04-09 EP disclosed
US-7303592-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1855644-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING The Procter and Gamble Company (US) 2007-11-21 EP disclosed
WO-2006099115-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING THE PROCTER & GAMBLE COMPANY (US) 2006-09-21 WO disclosed
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2005-09-01 US disclosed
US-6887280-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2005-05-03 US disclosed
EP-1480605-A1 HAIR COLORING COMPOSITIONS BASED ON DIAMINOPYRAZOLE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2004-12-01 EP disclosed
US-20030196280-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2003-10-23 US disclosed
WO-2003075872-A1 HAIR COLORING COMPOSITIONS BASED ON DIAMINOPYRAZOLE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2003-09-18 WO disclosed
US-4007213-A Process for preparing 1-(N-β-cyanethylaminol-3-acylaminobenzenes HOECHST AKTIENGESELLSCHAFT (DT) 1977-02-08 US 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 (3 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-20100087438-A1 New Potassium Channel Blockers KCNJ2, KCNB1, KCNJ11 ALDH1A1 1939/4885ALOX12 4669/4885HPGD 3568/4885
US-20030196280-A1 Novel hair coloring compositions for use in oxidative hair dyeing CBR1, CBR3, CYC1 ALDH1A1 9/4885ALOX12 650/4885HPGD 1002/4885
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing COXFA4L2, TYR, GPX4 ALDH1A1 89/4885ALOX12 1724/4885HPGD 322/4885

“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.