SCHEMBL5409726

SCHEMBL5409726

CCn1nc(Br)c([N+](=O)[O-])c1CCN

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5411987 0.77 ALDH1A1 (0.35) KCNH2SMN1; SMN2PKMALDH1A1MAPT
SCHEMBL5409732 0.73 GRIA1 (0.35) KCNH2SMN1; SMN2PKMALDH1A1MAPT
SCHEMBL5409719 0.71 SMN1; SMN2 (0.41) KCNH2SMN1; SMN2ALDH1A1MAPT
SCHEMBL5383506 0.69 PKM (0.44) KCNH2SMN1; SMN2PKMALDH1A1MAPT
SCHEMBL1074567 0.68 SMN1; SMN2 (0.37) KCNH2SMN1; SMN2PKMALDH1A1MAPT
SCHEMBL9233404 0.65
SCHEMBL5404958 0.65 MAPT (0.36) SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL31616896 0.64 SMN1; SMN2 (0.38) SMN1; SMN2PKMALDH1A1MAPT
SCHEMBL6758738 0.64 PKM (0.33) SMN1; SMN2PKMALDH1A1
SCHEMBL6442557 0.64 SMN1; SMN2 (0.43) SMN1; SMN2PKMALDH1A1MAPT

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 4 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
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 (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-20040143909-A1 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres KRT18, TUBB3, AOC1 KCNH2 237/4885SMN1; SMN2 4692/4885PKM 213/4885

“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.