SCHEMBL4673374

SCHEMBL4673374

O=C(C=C(O)c1nc[nH]n1)c1ccc(Sc2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HAO1 Q9UJM8 1/20 0.33
PPARD Q03181 9/20 0.32
PPARG P37231 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ASPH Q12797 1/20 0.31
RIOX2 Q8IUF8 1/20 0.31
KDM8 Q8N371 1/20 0.31
PPARA Q07869 4/20 0.31
NR3C2 P08235 1/20 0.30
NOTUM Q6P988 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4673971 0.89 MAPT (0.31) MAOAMAOBKDM4E
SCHEMBL4671076 0.89 ALDH1A1 (0.36) MAOAMAOBKDM4ENOTUMALDH1A1
SCHEMBL4673231 0.87 MAPT (0.31) MAOAMAOBKDM4E
SCHEMBL4672389 0.87 PTPN11 (0.31) KDM4E
SCHEMBL4674442 0.87 SMN1; SMN2 (0.40) MAOAMAOBHAO1KDM4EALDH1A1
SCHEMBL4675827 0.87 MAPT (0.38) KDM4EALDH1A1
SCHEMBL4670829 0.85 LMNA (0.37) KDM4EALOX5ALDH1A1
SCHEMBL4672384 0.85 ALDH1A1 (0.41) HAO1KDM4EASPHRIOX2KDM8
SCHEMBL4672746 0.84 PTPN11 (0.45) KDM4ENOTUMALDH1A1
SCHEMBL4677797 0.84 SRD5A2 (0.36) MAOAMAOBPPARDPPARGKDM4E

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 MAOA 238/4885MAOB 158/4885HAO1 600/4885

“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.