SCHEMBL5409719

SCHEMBL5409719

CCNc1c([N+](=O)[O-])c(Br)nn1CC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KCNH2 Q12809 1/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PGK1 P00558 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
SCHEMBL5404958 0.83 MAPT (0.36) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL2930475 0.83 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL13522993 0.81 SMN1; SMN2 (0.37) SMN1; SMN2MAPTALDH1A1HTTCNR1
SCHEMBL8920720 0.81 MAPT (0.41) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL8920097 0.81 CYP3A4 (0.44) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL5411987 0.78 ALDH1A1 (0.35) SMN1; SMN2MAPTALDH1A1KCNH2POLB
SCHEMBL2926366 0.77 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1CNR1CNR2
SCHEMBL1026866 0.72 KDM4E (0.45) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL8920031 0.72 ALDH1A1 (0.36) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL5409726 0.71 KCNH2 (0.34) SMN1; SMN2MAPTALDH1A1KCNH2

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 SMN1; SMN2 4692/4885MAPT 1794/4885ALDH1A1 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.