SCHEMBL4669134

SCHEMBL4669134

O=C1N=C(O)C(c2ccccc2)=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
MAPT P10636 5/20 0.38
HDAC4 P56524 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
APAF1 O14727 2/20 0.37
GALK1 P51570 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
TSHR P16473 1/20 0.37
HK1 P19367 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSK3B P49841 1/20 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
SCHEMBL4633787 0.84 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL8195881 0.74 ALDH1A1 (0.40) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL8809436 0.71 MAPT (0.39) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9755085 0.68 MAPT (0.45) MAPTALDH1A1LMNAKDM4ETSHR
Biphenyl SCHEMBL1326612 0.65 ALDH1A1 (0.60) MAPTHDAC4HDAC2HDAC8KMT2A
SCHEMBL10830097 0.64 BCL2L1 (0.34) P2RX7HDAC4HDAC2HDAC8HDAC6
SCHEMBL29594088 0.64 MAPT (0.61) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL12997586 0.63 ALDH1A1 (0.47) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL576916 0.63 ALDH1A1 (0.47) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL10713188 0.62 ALDH1A1 (0.41) MAPTKMT2AMEN1ALDH1A1LMNA

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 P2RX7 4441/4885MAPT 1203/4885HDAC4 418/4885

“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.