SCHEMBL4667928

SCHEMBL4667928

c1ccc(COc2ccc(-c3nc[nH]n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
GSTP1 P09211 1/20 0.51
IKBKE Q14164 1/20 0.51
MAOB P27338 6/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.50

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
SCHEMBL2655553 0.78 NPC1 (0.46) RAB9ASMN1; SMN2MAPTL3MBTL1NPC1
SCHEMBL197017 0.78 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL400222 0.78 KMT2A (0.67) LMNACYP2C19L3MBTL1KMT2AXDH
SCHEMBL23483029 0.77 LMNA (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1096817 0.77 LMNA (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27367676 0.76 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.76 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7379441 0.76 LMNA (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6534828 0.75 LMNA (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL570256 0.74 RAB9A (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 6 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
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
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 LMNA 4252/4885CYP1A2 19/4885PTGS1 4802/4885

“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.