SCHEMBL4671998

SCHEMBL4671998

O=C(C=C(O)c1nc[nH]n1)c1coc(Sc2ccccc2C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMO O15229 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NOTUM Q6P988 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
SCHEMBL4671038 0.86 PKM (0.34) LMNAMAPT
SCHEMBL4675521 0.85 HAO1 (0.34) PTPN11KDM4ELMNAMAPTNPC1
SCHEMBL4675329 0.85 PTPN11 (0.32) PTPN11KDM4ELMNAMAPTNPSR1
SCHEMBL4678386 0.83 PPARD (0.33)
SCHEMBL4672746 0.83 PTPN11 (0.45) PTPN11KDM4ELMNAMAPTNPSR1
SCHEMBL4674659 0.83 ALDH1A1 (0.35) KDM4ELMNAMAPTNPSR1NPC1
SCHEMBL4676336 0.82 AR (0.35) KDM4ELMNARAB9A
SCHEMBL4679125 0.81 MRGPRX4 (0.37) NPC1RAB9ANOTUM
SCHEMBL4674216 0.80 KDM4E (0.34) KDM4ELMNAMAPTNPSR1KMO
SCHEMBL4671054 0.80 KDM4E (0.34) KDM4ELMNAMAPTNPSR1NOTUM

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 PTPN11 3101/4885KDM4E 947/4885LMNA 659/4885

“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.