SCHEMBL5409732

SCHEMBL5409732

CCn1nc(Br)c([N+](=O)[O-])c1C(C)N

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
GRIK5 Q16478 1/20 0.35
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KCNH2 Q12809 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
SCHEMBL5411987 0.77 ALDH1A1 (0.35) POLBHTTLMNAPKMSMN1; SMN2
SCHEMBL5409726 0.73 KCNH2 (0.34) PKMSMN1; SMN2ALDH1A1MAPTKCNH2
SCHEMBL5409719 0.71 SMN1; SMN2 (0.41) POLBHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL5404958 0.71 MAPT (0.36) POLBHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL21626232 0.70 POLB (0.38) POLBHTTLMNAPKMSMN1; SMN2
SCHEMBL5383506 0.69 PKM (0.44) LMNAPKMSMN1; SMN2ALDH1A1MAPT
SCHEMBL9233394 0.69 MAPT (0.31) MAPT
SCHEMBL1074567 0.68 SMN1; SMN2 (0.37) POLBHTTPKMSMN1; SMN2ALDH1A1
SCHEMBL5382948 0.68 LMNA (0.49) POLBHTTLMNAALDH1A1MAPT
SCHEMBL14401656 0.67 POLB (0.36) POLBHTTLMNASMN1; SMN2KCNH2

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 2 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

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 GRIA1 4210/4885GRIA2 4547/4885GRIA4 4525/4885

“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.