SCHEMBL4670849

SCHEMBL4670849

O=C(C=C(O)c1nc[nH]n1)c1ccoc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.35
ALDH1A1 P00352 1/20 0.34
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
RAB9A P51151 1/20 0.31
LTA4H P09960 1/20 0.31
EPHX2 P34913 1/20 0.31
PTPN1 P18031 1/20 0.31
P2RY14 Q15391 1/20 0.31
MAPK14 Q16539 1/20 0.30
GRM4 Q14833 1/20 0.30
LMNA P02545 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
KDM5A P29375 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
BRAF P15056 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
SCHEMBL4672937 0.88 KDM4E (0.38) ALDH1A1
SCHEMBL4676663 0.87 CYP1A1 (0.36) ALDH1A1RAB9ALMNA
SCHEMBL4679724 0.86 CYP1A1 (0.30)
SCHEMBL4674086 0.86 CYP1A1 (0.36) KDM4CALDH1A1RAB9ALMNAKDM5A
SCHEMBL4674141 0.86 CDH1 (0.33) RAB9ALMNA
SCHEMBL4676198 0.84 MAPT (0.37) ALDH1A1RAB9ALMNA
SCHEMBL4673095 0.84 ALDH1A1 (0.34) KDM4CALDH1A1KDRFLT3RAB9A
SCHEMBL4674286 0.82 RXRA (0.33) PPARG
SCHEMBL4674602 0.82 ALDH1A1 (0.34) KDM4CALDH1A1KDRFLT3RAB9A
SCHEMBL4672976 0.81 KDM5A (0.37) KDM4CALDH1A1PTPN1PPARGPPARD

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 KDM4C 785/4885ALDH1A1 980/4885KDR 2342/4885

“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.