SCHEMBL4677029

SCHEMBL4677029

O=C(C=C(O)c1nc[nH]n1)c1ccn(Cc2ccccc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.40
KDM5B Q9UGL1 2/20 0.40
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 2/20 0.34
MAPT P10636 5/20 0.33
VNN1 O95497 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALKBH1 Q13686 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TDP2 O95551 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
CASP3 P42574 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL5899369 0.86 CYP2C19 (0.38) KDM5AKDM5BKDM4CTBXAS1POLB
SCHEMBL4679413 0.84 KDM4A (0.38) KDM5AKDM5BKDM4AKDM4CKDM4E
SCHEMBL4671856 0.83 KDM5A (0.38) KDM5AKDM5BKDM4AKDM4CKDM4E
SCHEMBL4673045 0.83 ALDH1A1 (0.46) KDM5AKDM5BKDM4AKDM4CKDM4E
SCHEMBL4674052 0.82 KDM4C (0.40) KDM4CKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL4677701 0.82 KDM4C (0.42) KDM5AKDM5BKDM4CALKBH1TDP1
SCHEMBL4677400 0.82 KDM4A (0.37) KDM5AKDM5BKDM4AKDM4CKDM4E
SCHEMBL4672342 0.81 KDM5A (0.38) KDM5AKDM5BKDM4AKDM4CKDM4E
SCHEMBL4671557 0.80 LMNA (0.39) KDM4EALDH1A1ATMMAPTTP53
SCHEMBL4679492 0.80 TBXAS1 (0.35) KDM4EALDH1A1MAPTGAAMEN1

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.