SCHEMBL4778468

SCHEMBL4778468

[O]c1ccc(-n2cn[nH]c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
GPR119 Q8TDV5 1/20 0.46
TDP1 Q9NUW8 3/20 0.41
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CMA1 P23946 1/20 0.34
HCAR1 Q9BXC0 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
TNF P01375 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1618003 0.82 HTT (0.50) HTTGPR119TDP1CCNA2CDK2
SCHEMBL792758 0.82 HTT (0.50) HTTGPR119TDP1CCNA2CDK2
SCHEMBL8718617 0.82 HTT (0.54) HTTGPR119TDP1CCNA2CDK2
SCHEMBL8718822 0.82 HTT (0.50) HTTGPR119TDP1ALDH1A1RAB9A
SCHEMBL7028939 0.82 HTT (0.50) HTTGPR119TDP1CCNA2CDK2
SCHEMBL3518937 0.81 HTT (0.62) HTTGPR119TDP1DDB1CRBN
SCHEMBL8718367 0.79 HTT (0.51) HTTGPR119TDP1CCNA2CDK2
SCHEMBL7678192 0.79 HTT (0.47) HTTGPR119TDP1CCNA2CDK2
SCHEMBL5906422 0.79 HTT (0.69) HTTGPR119TDP1CMA1
SCHEMBL17202641 0.77 HTT (0.46) HTTGPR119TDP1CMA1ALDH1A1

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 HTT 4312/4885GPR119 958/4885TDP1 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.