SCHEMBL4673231

SCHEMBL4673231

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
NTSR1 P30989 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
LMNA P02545 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL4672389 0.89 PTPN11 (0.31) MAPTKDM4EPKMMAPK1NTSR1
SCHEMBL4675827 0.89 MAPT (0.38) MAPTKDM4EPKMMAPK1NTSR1
SCHEMBL4673971 0.89 MAPT (0.31) MAPTKDM4EPKMMAPK1NTSR1
SCHEMBL4674442 0.89 SMN1; SMN2 (0.40) MAPTKDM4EPKMMAPK1NTSR1
SCHEMBL4672384 0.87 ALDH1A1 (0.41) MAPTKDM4EPKMLMNA
SCHEMBL4670829 0.87 LMNA (0.37) MAPTKDM4EMAPK1LMNA
SCHEMBL4673811 0.81 PTPN11 (0.43) MAPTMAOAMAOB
SCHEMBL4672707 0.80 PTPN11 (0.46) MAPTKDM4ELMNAMAOB
SCHEMBL4676640 0.80 PTPN11 (0.41) PKM
SCHEMBL4671076 0.79 ALDH1A1 (0.36) KDM4EMAPK1LMNAMAOAMAOB

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 MAPT 205/4885KDM4E 947/4885PKM 2609/4885

“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.