SCHEMBL4677236

SCHEMBL4677236

O=C(O)/C(O)=C/C(=O)c1ccn(Cc2ccccc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ATM Q13315 3/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
AKR1B1 P15121 1/20 0.38
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.38
RECQL P46063 1/20 0.38
GFER P55789 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL4677240 1.00 KDM4A (0.42) KDM4AKDM5AKDM4CKDM5BKMT2A
SCHEMBL4674501 0.82 CYP2C19 (0.47) KDM5AKDM4CKDM5BATMKDM4E
SCHEMBL4674497 0.82 CYP2C19 (0.47) KDM5AKDM4CKDM5BATMKDM4E
SCHEMBL4671701 0.79 CA12 (0.43) KDM4AKDM5AKDM4CKDM5BKMT2A
SCHEMBL4671698 0.79 CA12 (0.43) KDM4AKDM5AKDM4CKDM5BKMT2A
SCHEMBL4679413 0.78 KDM4A (0.38) KDM4AKDM5AKDM4CKDM5BKMT2A
SCHEMBL4677029 0.78 KDM5A (0.40) KDM4AKDM5AKDM4CKDM5BKMT2A
SCHEMBL4674411 0.78 NPC1 (0.46) KDM4CKMT2AMEN1KDM4EALDH1A1
SCHEMBL4671192 0.78 ALDH1A1 (0.54) KDM4AKDM5AKDM4CKDM5BKMT2A
SCHEMBL4674414 0.78 NPC1 (0.46) KDM4CKMT2AMEN1KDM4EALDH1A1

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 KDM4A 340/4885KDM5A 1534/4885KDM4C 785/4885

“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.