SCHEMBL4666220

SCHEMBL4666220

[O]c1ccc(-n2cc[nH]c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CRBN Q96SW2 3/20 0.39
DDB1 Q16531 1/20 0.39
CMA1 P23946 2/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CYP2D6 P10635 1/20 0.33
SLC9A3 P48764 1/20 0.33

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
SCHEMBL8723165 0.83 MGLL (0.41) POLBAPOBEC3GTDP1CRBNDDB1
SCHEMBL3858469 0.83 CMA1 (0.43) POLBAPOBEC3GTDP1CRBNDDB1
SCHEMBL793922 0.83 FAAH (0.41) POLBAPOBEC3GTDP1CRBNDDB1
SCHEMBL4732529 0.83 DDB1 (0.59) POLBAPOBEC3GTDP1CRBNDDB1
SCHEMBL15077176 0.80 KCNH2 (0.37) POLBAPOBEC3GTDP1CRBNDDB1
SCHEMBL7401028 0.79 CYP19A1 (0.40) POLBAPOBEC3GTDP1CRBNDDB1
SCHEMBL8721189 0.79 MGLL (0.46) POLBAPOBEC3GTDP1CRBNDDB1
SCHEMBL7676089 0.79 POLB (0.36) POLBAPOBEC3GTDP1CRBNDDB1
SCHEMBL8354925 0.79 ATM (0.47) POLBALDH1A1HPGD
SCHEMBL7686296 0.75 PDPK1 (0.39) POLBAPOBEC3GTDP1CRBNDDB1

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 POLB 4183/4885APOBEC3G 1771/4885TDP1 4024/4885

“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.