SCHEMBL4667925

SCHEMBL4667925

c1ccc(COc2ccc(-n3cncn3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
NPC1 O15118 5/20 0.62
LMNA P02545 3/20 0.60
TP53 P04637 2/20 0.60
MAPT P10636 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
PTGER1 P34995 1/20 0.52
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL31530203 0.87 CYP1A2 (0.58) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL1186530 0.85 NPC1 (0.52) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL20590806 0.81 NPC1 (0.54) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL22325530 0.81 ALKBH1 (0.56) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL31530186 0.80 CYP1A2 (0.51) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL31530274 0.80 CYP1A2 (0.51) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL7016284 0.79 CYP1A2 (0.55) SMN1; SMN2MAPTCYP1A2CYP2C19CYP2D6
SCHEMBL27331702 0.78 CYP1A2 (0.56) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL4639217 0.78 MAOB (0.55) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL3235402 0.78 NPC1 (0.72) RAB9ASMN1; SMN2NPC1LMNATP53

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 RAB9A 483/4885SMN1; SMN2 4676/4885NPC1 198/4885

“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.