SCHEMBL4677400

SCHEMBL4677400

CCc1cn(Cc2ccccc2F)cc1C(=O)C=C(O)c1nc[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NOD2 Q9HC29 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 5/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 4/20 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
SCHEMBL4670965 0.90 KDM4A (0.35) KDM4AKDM5AKDM4CKDM5BTP53
SCHEMBL4671573 0.85 KDM5A (0.34) KDM4AKDM5AKDM4CKDM5BALDH1A1
SCHEMBL4677657 0.84 PTGDR2 (0.35) KDM4AKDM5AKDM4CKDM5BTP53
SCHEMBL4671420 0.84 KDM4E (0.36) KDM4CALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL4672550 0.84 KDM4C (0.39) KDM4CRXFP1LMNAKMT2AMEN1
SCHEMBL5899377 0.82 NPC1 (0.34) NPC1LMNAL3MBTL1NPSR1SMN1; SMN2
SCHEMBL4676977 0.82 HCAR2 (0.33) KDM4EKMT2AMEN1
SCHEMBL4677029 0.82 KDM5A (0.40) KDM4AKDM5AKDM4CKDM5BTP53
SCHEMBL4674474 0.80 CDK5 (0.38) KDM4ENPC1RAB9ALMNAKMT2A
SCHEMBL4678513 0.80 TP53 (0.40) KDM4AKDM5AKDM4CKDM5BTP53

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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.