SCHEMBL5382948

SCHEMBL5382948

CC(O)Cn1nc(Br)c([N+](=O)[O-])c1Br

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
CSNK2A1 P68400 3/20 0.37
POLB P06746 3/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL5392356 0.83 CSNK2A1 (0.38) LMNACSNK2A1POLBHTTKMT2A
SCHEMBL5411987 0.78 ALDH1A1 (0.35) LMNAPOLBHTTKMT2AMEN1
SCHEMBL1076637 0.76 ALDH1A1 (0.37) LMNAMAPK1CSNK2A1POLBHTT
SCHEMBL1074567 0.76 SMN1; SMN2 (0.37) MAPK1POLBHTTKMT2AMEN1
SCHEMBL6758738 0.75 PKM (0.33) ATMHTTKMT2AMEN1L3MBTL1
SCHEMBL5399448 0.74 CYP3A4 (0.43) LMNAMAPK1POLBHTTALDH1A1
SCHEMBL5387529 0.73 ALDH1A1 (0.32) LMNAMAPK1POLBHTTKMT2A
SCHEMBL2925238 0.73 CNR1 (0.35) LMNAMAPK1ATMCSNK2A1HTT
SCHEMBL5420622 0.72 NPC1 (0.34) POLBHTTKMT2AMAPT
SCHEMBL5404958 0.72 MAPT (0.36) LMNAPOLBHTTKMT2AMEN1

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-7285136-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-10-23 US disclosed
US-20040103487-A1 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL S.A. (FR) 2004-06-03 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-20040103487-A1 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres KRT18, AOC1, DPYD LMNA 364/4885MAPK1 496/4885ATM 2038/4885

“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.