SCHEMBL4780828

SCHEMBL4780828

O=C1N=NC(c2ccccc2O)=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 3/20 0.40
BCL2L1 Q07817 1/20 0.40
PTPN1 P18031 1/20 0.39
MAOA P21397 3/20 0.38
MAPT P10636 2/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
DBH P09172 2/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
MMP2 P08253 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GUSB P08236 1/20 0.37
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL18167019 0.78 ESR2 (0.42) HPGDHSD17B10ALDH1A1PTPN1MAOA
SCHEMBL541879 0.76 C1R (0.37) MAOAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3056752 0.70 MAPT (0.39) HPGDHSD17B10ALDH1A1MAPTMEN1
SCHEMBL18319991 0.67 ALDH1A1 (0.43) HPGDHSD17B10ALDH1A1BCL2L1PTPN1
SCHEMBL4669139 0.67 HPGD (0.39) HPGDHSD17B10ALDH1A1BCL2L1PTPN1
SCHEMBL30442890 0.67 ALDH1A1 (0.67) HPGDHSD17B10ALDH1A1BCL2L1PTPN1
SCHEMBL28574 0.67 ALDH1A1 (0.67) HPGDHSD17B10ALDH1A1BCL2L1PTPN1
SCHEMBL29623192 0.67 ALDH1A1 (0.67) HPGDHSD17B10ALDH1A1BCL2L1PTPN1
SCHEMBL7845497 0.64 ALDH1A1 (0.63) HPGDHSD17B10ALDH1A1BCL2L1PTPN1
SCHEMBL477382 0.64 ALDH1A1 (0.63) HPGDHSD17B10ALDH1A1BCL2L1PTPN1

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
EP-1654254-A4 ANTIFUNGAL AZOLE DERIVATIVES HAVING A FLUOROVINYL MOIETY AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2008-12-31 EP disclosed
US-20080027117-A1 Antifungal Azole Derivatives Having a Fluorovinyl Moiety and Process for the Preparation Thereof KOREA RESERACH INSTIITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-01-31 US disclosed
EP-1654254-A1 ANTIFUNGAL AZOLE DERIVATIVES HAVING A FLUOROVINYL MOIETY AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2006-05-10 EP disclosed
WO-2005014583-A1 ANTIFUNGAL AZOLE DERIVATIVES HAVING A FLUOROVINYL MOIETY AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-02-17 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-20080027117-A1 Antifungal Azole Derivatives Having a Fluorovinyl Moiety and Process for the Preparation Thereof ERG28, CYP51A1, CYP4F8 HPGD 4432/4885HSD17B10 1485/4885ALDH1A1 1114/4885

“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.