SCHEMBL4679147

SCHEMBL4679147

O=C(C=C(O)c1nc[nH]n1)c1cc(Cc2ccccc2)co1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
IDH1 O75874 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RARA P10276 1/20 0.30
RXRA P19793 1/20 0.30
AOC3 Q16853 1/20 0.30
IP6K1 Q92551 1/20 0.30
IP6K3 Q96PC2 1/20 0.30

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
SCHEMBL4676930 0.91 CYP1A2 (0.32) LMNA
SCHEMBL4678071 0.90 KDM4C (0.35) KDM4AKDM4CKDM5BLMNAL3MBTL1
SCHEMBL4678209 0.90 ALDH1A1 (0.30)
SCHEMBL4673435 0.90 LMNA (0.36) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL4673317 0.90 SRD5A2 (0.33) RARARXRA
SCHEMBL4675734 0.89 HCAR2 (0.40) HCAR2KDM5AKDM4CKDM5BLMNA
SCHEMBL4673040 0.89 HCAR2 (0.40) HCAR2KDM4AKDM4CKDM5BLMNA
SCHEMBL4677006 0.88 POLB (0.34) PTGER4LMNAMAPK1L3MBTL1
SCHEMBL4671753 0.88 KDM5A (0.39) KDM5AKDM5BLTA4H
SCHEMBL4674503 0.88 KMT2A (0.40) LMNAL3MBTL1RARARXRA

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 PTGER4 4235/4885HCAR2 276/4885KDM4A 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.