SCHEMBL5405556

SCHEMBL5405556

CC(O)c1cc2nnc(-c3cccc(O)c3)n2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 7/20 0.43
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD17B1 P14061 5/20 0.38
HSD17B2 P37059 4/20 0.38
MAT2A P31153 1/20 0.38
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
OPRD1 P41143 1/20 0.35
HSD11B1 P28845 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL5406467 0.81 ALDH1A1 (0.40) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL5413319 0.76 NT5E (0.44) NT5EALDH1A1HPGDKDM4ETSHR
SCHEMBL5410150 0.74 NT5E (0.43) NT5EALDH1A1HPGDKDM4ETSHR
SCHEMBL5402496 0.70 POLB (0.37) ALDH1A1HPGD
SCHEMBL2270872 0.64 KDM4E (0.53) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL16331150 0.64 NT5E (0.63) NT5EKDM4EHSD17B10HSD17B1HSD17B2
SCHEMBL2267352 0.61 KDM4E (0.53) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1284368 0.61 NT5E (0.62) NT5EALDH1A1HPGDKDM4ETSHR
SCHEMBL2271082 0.60 TP53 (0.41) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30545101 0.60 ACHE (0.73) ALDH1A1HSD17B10HSD17B1HSD17B2CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362049-B1 PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES OREAL (FR) 2006-06-21 EP claimed
US-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2004-05-13 US claimed
EP-1362049-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 EP claimed
WO-2002064596-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2002-08-22 WO claimed
US-7192452-B2 Pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2007-03-20 US disclosed
EP-1362049-B1 PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES OREAL (FR) 2006-06-21 EP disclosed
US-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2004-05-13 US disclosed
EP-1362049-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 EP disclosed
WO-2002064596-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2002-08-22 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-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres KRT18, CYC1, CBR3 NT5E 2509/4885ALDH1A1 180/4885HPGD 696/4885

“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.