SCHEMBL4670631

SCHEMBL4670631

O=C(C=C(O)c1nc[nH]n1)c1cc(CCc2ccccc2)oc1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.34
FAAH O00519 5/20 0.34
ALDH1A1 P00352 2/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
PPARG P37231 1/20 0.32
PTPRC P08575 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN9 P43378 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
MAPT P10636 2/20 0.31
MGLL Q99685 1/20 0.31
CES1 P23141 1/20 0.31
KDR P35968 1/20 0.31
PLK1 P53350 1/20 0.31
BRS3 P32247 2/20 0.31

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
SCHEMBL4674991 0.84 GSK3B (0.33) NR3C2FAAHALDH1A1HTR2BHTR3A
SCHEMBL4670692 0.82 NR3C2 (0.33) NR3C2FAAHCES1PTGIRCYP2C19
SCHEMBL4675861 0.82 TBXA2R (0.32) NR3C2ALDH1A1LMNATBXA2RHTT
SCHEMBL4672722 0.82 NR3C2 (0.36) NR3C2KDM4ECYP3A4MAPK1CYP2C19
SCHEMBL4675321 0.82 ALDH1A1 (0.39) NR3C2FAAHALDH1A1PPARGMAPT
SCHEMBL4672796 0.82 GPR52 (0.32) NR3C2ALDH1A1PPARGPTPRCPTPN2
SCHEMBL4671760 0.82 MEN1 (0.35) NR3C2FAAHALDH1A1MAPTLMNA
SCHEMBL4677198 0.81 LMNA (0.35) NR3C2ALDH1A1BRS3KDM4ELMNA
SCHEMBL4672626 0.78 BRS3 (0.33) NR3C2FAAHPPARGCES1BRS3
SCHEMBL4674759 0.78 NR3C2 (0.36) NR3C2KDM4ECYP3A4MAPK1CYP2C19

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 2547/4885ALDH1A1 980/4885

“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.