SCHEMBL5406467

SCHEMBL5406467

Cc1ccc(-c2nnc3cc(C(C)O)[nH]n23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
HPGD P15428 9/20 0.40
KDM4E B2RXH2 8/20 0.40
HSD17B10 Q99714 5/20 0.40
TSHR P16473 3/20 0.40
POLB P06746 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
ALOX15 P16050 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RECQL P46063 2/20 0.38
HTT P42858 1/20 0.38
RAD51 Q06609 5/20 0.37
MAPT P10636 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 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
SCHEMBL5417410 0.90 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL5408337 0.89 AKT1 (0.32) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL5405683 0.88 KDM4E (0.38) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL5402500 0.86 NPC1 (0.39) ALDH1A1HPGDTSHRSMN1; SMN2MEN1
SCHEMBL5406465 0.77 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL5402496 0.69 POLB (0.37) ALDH1A1HPGDPOLBSMN1; SMN2KMT2A
SCHEMBL2270872 0.65 KDM4E (0.53) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL14394534 0.61 NPC1 (0.44) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL5414065 0.61 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10SMN1; SMN2MEN1
SCHEMBL5405607 0.61 KMT2A (0.38) ALDH1A1HPGDKDM4EHSD17B10TSHR

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 ALDH1A1 180/4885HPGD 696/4885KDM4E 1593/4885

“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.