SCHEMBL4670692

SCHEMBL4670692

O=C(C=C(O)c1nc[nH]n1)c1cc(CCc2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.33
FAAH O00519 7/20 0.32
PTGER4 P35408 2/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
DAO P14920 1/20 0.31
PTGIR P43119 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CES1 P23141 1/20 0.31
QPCT Q16769 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
SCHEMBL4672626 0.83 BRS3 (0.33) NR3C2FAAHNPC1RAB9ACES1
SCHEMBL4674795 0.82 DAO (0.35) LTB4RLTB4R2CYP1A2CYP2C19CYP2D6
SCHEMBL4670631 0.82 NR3C2 (0.34) NR3C2FAAHCYP2C19PTGIRCES1
SCHEMBL4671265 0.81 ABCB1 (0.35) NR3C2RAB9A
SCHEMBL4671846 0.81 LMNA (0.35) NR3C2FAAHDAONPC1RAB9A
SCHEMBL4671760 0.80 MEN1 (0.35) NR3C2FAAHNPC1RAB9A
SCHEMBL4678767 0.80 CYP19A1 (0.36) NR3C2RAB9A
SCHEMBL4671337 0.79 LMNA (0.36) NR3C2FAAHDAONPC1RAB9A
SCHEMBL4673697 0.78 DAO (0.35) CYP1A2CYP2C19CYP2D6CYP2C9DAO
SCHEMBL4674991 0.78 GSK3B (0.33) NR3C2FAAHNPC1RAB9ACES1

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-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 NR3C2 221/4885FAAH 2547/4885PTGER4 4235/4885

“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.