SCHEMBL4672591

SCHEMBL4672591

O=C(O)c1cc(C(=O)C=C(O)c2nc[nH]n2)n(Cc2ccc(F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
ALKBH1 Q13686 1/20 0.39
POLB P06746 2/20 0.36
CTDSP1 Q9GZU7 2/20 0.35
KDM4E B2RXH2 2/20 0.35
APEX1 P27695 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR4A2 P43354 2/20 0.34
CNR2 P34972 1/20 0.34
P2RY14 Q15391 3/20 0.34
ENPP2 Q13822 2/20 0.34

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
SCHEMBL4676074 0.93 CA12 (0.39) CA12CA1CA2CA9KDM4A
SCHEMBL4677818 0.90 POLB (0.48) CA12CA1CA2CA9KDM4A
SCHEMBL4675256 0.90 KDM4E (0.36) KDM5AKDM4CKDM5BPOLBKDM4E
SCHEMBL4671944 0.90 ALDH1A1 (0.33) CA12CA1CA2CA9ALKBH1
SCHEMBL4672204 0.89 ALKBH1 (0.43) KDM5AKDM4CKDM5BALKBH1NR4A2
SCHEMBL4672483 0.89 ALDH1A1 (0.36) CA12CA1CA2CA9P2RY14
SCHEMBL5899342 0.89 MAPK10 (0.38) KDM5AKDM4CKDM5BCNR2MMP13
SCHEMBL4671016 0.89 MAPT (0.38) CA12CA1CA2CA9POLB
SCHEMBL4673271 0.88 CA12 (0.39) CA12CA1CA2CA9KDM4A
SCHEMBL4674559 0.88 EGLN1 (0.42) ALKBH1POLBNPC1RAB9AMMP13

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 5 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-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 CA12 4245/4885CA1 3590/4885CA2 2384/4885

“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.