SCHEMBL4673252

SCHEMBL4673252

O=C(O)c1cc(C(=O)C=C(O)c2nc[nH]n2)n(Cc2ccccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.41
KDM5B Q9UGL1 3/20 0.41
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
ALKBH1 Q13686 3/20 0.40
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
TDP2 O95551 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RECQL P46063 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL4672342 0.93 KDM5A (0.38) KDM5AKDM5BKDM4AKDM4CALKBH1
SCHEMBL4677986 0.92 TP53 (0.42) KDM5AKDM5BKDM4AKDM4CALKBH1
SCHEMBL4671670 0.90 TP53 (0.42) KDM5AKDM5BKDM4AKDM4CALKBH1
SCHEMBL4671233 0.89 TP53 (0.40) TP53RXFP1MAPTKDM4EGAA
SCHEMBL4678513 0.88 TP53 (0.40) KDM5AKDM5BKDM4AKDM4CTP53
SCHEMBL4679241 0.88 TP53 (0.36) KDM5AKDM5BKDM4AKDM4CALKBH1
SCHEMBL4671557 0.87 LMNA (0.39) TP53RXFP1MAPTKDM4EATM
SCHEMBL4673645 0.86 TP53 (0.40) TP53RXFP1MAPTKDM4EGAA
SCHEMBL4676001 0.84 ATM (0.39) KDM5AKDM5BKDM4AKDM4CALKBH1
SCHEMBL4672591 0.84 CA12 (0.42) KDM5AKDM5BKDM4AKDM4CALKBH1

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 KDM5A 1534/4885KDM5B 1480/4885KDM4A 340/4885

“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.