SCHEMBL5408720

SCHEMBL5408720

CC(O)CNc1c(N)cnn1CC(C)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.33
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CFTR P13569 1/20 0.30
HTR1A P08908 2/20 0.30
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HTR1D P28221 1/20 0.30
HTR7 P34969 1/20 0.30
HTR4 Q13639 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
SCHEMBL5406499 0.92 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL5445681 0.88 MAPT (0.35) MAPTSMN1; SMN2KDM4EALDH1A1ADORA2A
SCHEMBL14357594 0.88 TLR7 (0.31) MAPTLMNA
SCHEMBL5396481 0.88 LMNA (0.33) MAPTLMNAADORA2AADORA1HTR1A
SCHEMBL5410623 0.88 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
Bromide SCHEMBL5402709 0.86 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14357575 0.86 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL5399863 0.85 LMNA (0.32) KDM4EALDH1A1LMNA
SCHEMBL5441226 0.83 LMNA (0.34) LMNAADORA2AADORA1HTR1AADRA2A
SCHEMBL14357564 0.82 CDK1 (0.36) LMNA

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 6 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-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-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 MAPT 1794/4885SMN1; SMN2 4692/4885KDM4E 1263/4885

“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.