SCHEMBL6068455

SCHEMBL6068455

COCCN(CCOC)c1c(N)cnn1CCOC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MPO P05164 1/20 0.32
SLC29A1 Q99808 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CRHR1 P34998 1/20 0.30
DYRK1A Q13627 1/20 0.30
LRRK2 Q5S007 1/20 0.30
MAOB P27338 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
SCHEMBL6068677 0.91 TDP1 (0.32) TDP1ALDH1A1LMNAALOX15MPO
SCHEMBL6068924 0.89 TDP1 (0.31) TDP1ALDH1A1LMNAALOX15MPO
SCHEMBL6068724 0.87 TDP1 (0.33) TDP1ALDH1A1LMNAALOX15MPO
SCHEMBL6068513 0.83 ABL1 (0.30)
SCHEMBL15651733 0.83 ALDH1A1 (0.35) TDP1ALDH1A1LMNAALOX15MPO
SCHEMBL6068975 0.80 MEN1 (0.31)
SCHEMBL33797 0.78 ALDH1A1 (0.37) TDP1ALDH1A1LMNAALOX15MPO
Hydrochloric Acid SCHEMBL6282164 0.76 ALDH1A1 (0.36) TDP1ALDH1A1LMNAALOX15MPO
Hydrochloric Acid SCHEMBL5414502 0.76 ALDH1A1 (0.36) TDP1ALDH1A1LMNAALOX15MPO
SCHEMBL5021082 0.76 LRRK2 (0.40) TDP1ALDH1A1LMNACYP3A4ALOX15

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-7091350-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-08-15 US disclosed
US-20040088802-A1 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL S.A. (FR) 2004-05-13 US disclosed
EP-1363889-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2003-11-26 EP disclosed
WO-2002066440-A1 DIAMINOPYRAZOLE DERIVATIVES AND THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2002-08-29 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-20040088802-A1 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres CBR3, CBR1, CYB5R3 TDP1 1483/4885ALDH1A1 1944/4885LMNA 992/4885

“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.