SCHEMBL4667907

SCHEMBL4667907

[O]c1ccc(N2CCNC2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGB8 P26012 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNA1 P78396 3/20 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
SCHEMBL4712786 0.83 DDB1 (0.56) EIF2AK2DDB1CRBNALDH1A1POLB
SCHEMBL305860 0.83 ALDH1A1 (0.55) EIF2AK2DDB1CRBNALDH1A1POLB
SCHEMBL3858961 0.82 EIF2AK2 (0.39) EIF2AK2DDB1CRBNALDH1A1POLB
SCHEMBL2723456 0.82 HTR3E (0.47) EIF2AK2ALDH1A1POLBITGB3ITGB1
SCHEMBL2199529 0.82 KMT2A (0.41) EIF2AK2DDB1CRBNALDH1A1POLB
SCHEMBL2883318 0.82 ADRB1 (0.47) POLBSMN1; SMN2CMA1MEN1KMT2A
SCHEMBL4626160 0.82 FAAH (0.41) EIF2AK2DDB1CRBNALDH1A1POLB
SCHEMBL4056377 0.82 GLA (0.41) EIF2AK2DDB1CRBNALDH1A1POLB
SCHEMBL19604817 0.82 EIF2AK2 (0.39) EIF2AK2DDB1CRBNALDH1A1POLB
SCHEMBL12068144 0.82 EIF2AK2 (0.39) EIF2AK2DDB1CRBNALDH1A1POLB

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 EIF2AK2 1480/4885DDB1 2458/4885CRBN 492/4885

“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.