SCHEMBL4667938

SCHEMBL4667938

NC(=O)NNc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.64
PARP10 Q53GL7 1/20 0.62
SIRT2 Q8IXJ6 1/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
ALDH1A1 P00352 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56

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
SCHEMBL4598560 0.86 LTA4H (0.75) LTA4HPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL9188352 0.82 LTA4H (0.61) LTA4HNPC1RAB9ASMN1; SMN2NR4A1
SCHEMBL27764698 0.81 MEN1 (0.67) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3505916 0.79 LTA4H (0.78) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4666205 0.79 RAB9A (0.74) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21067416 0.78 LTA4H (1.00) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21295527 0.78 MEN1 (0.77) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
Pyridine SCHEMBL8616278 0.77 MEN1 (0.57) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29197117 0.77 LTA4H (0.57) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8402761 0.77 LTA4H (0.56) LTA4HNPC1RAB9ASMN1; SMN2NR4A1

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 LTA4H 4371/4885PARP10 3811/4885SIRT2 1721/4885

“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.