SCHEMBL5404958

SCHEMBL5404958

CCn1nc(Br)c([N+](=O)[O-])c1NCC(C)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 4/20 0.34
POLB P06746 3/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5409719 0.83 SMN1; SMN2 (0.41) MAPTALDH1A1POLBHTTMEN1
SCHEMBL8920097 0.74 CYP3A4 (0.44) MAPTLMNAALDH1A1POLBHTT
SCHEMBL5399448 0.72 CYP3A4 (0.43) MAPTLMNAALDH1A1POLBHTT
SCHEMBL5411987 0.72 ALDH1A1 (0.35) MAPTLMNAALDH1A1POLBHTT
SCHEMBL5382948 0.72 LMNA (0.49) MAPTLMNAALDH1A1POLBHTT
SCHEMBL2930475 0.71 SMN1; SMN2 (0.39) MAPTLMNAALDH1A1POLBHTT
SCHEMBL5409732 0.71 GRIA1 (0.35) MAPTLMNAALDH1A1POLBHTT
SCHEMBL27603443 0.70 SMN1; SMN2 (0.40) MAPTSMN1; SMN2
SCHEMBL14401656 0.70 POLB (0.36) LMNAPOLBHTTMEN1KMT2A
SCHEMBL8920031 0.69 ALDH1A1 (0.36) MAPTLMNAALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed
US-20040143909-A1 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL S.A. (FR) 2004-07-29 US disclosed
EP-1362036-A1 DIAMINOPYRAZOLE COMPOUNDS AND THE USE THEREOF IN THE OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 EP disclosed
US-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. 2003-07-03 US disclosed
WO-2002070489-A1 DIAMINOPYRAZOLE COMPOUNDS AND THE USE THEREOF IN THE OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2002-09-12 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 (2 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-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof NR4A1, NR0B1, NR1D1 MAPT 4217/4885LMNA 3824/4885ALDH1A1 708/4885
US-20040143909-A1 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres KRT18, TUBB3, AOC1 MAPT 1794/4885LMNA 910/4885ALDH1A1 187/4885

“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.