SCHEMBL4676863

SCHEMBL4676863

COCc1cc(C(=O)C=C(O)c2nn[nH]n2)cn1Cc1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
BRD4 O60885 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
ADRA1D P25100 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CXCR3 P49682 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 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
SCHEMBL4672131 0.91 ERCC5 (0.36) KDM4EMEN1KMT2AKDM4CADRA1D
SCHEMBL4673403 0.88 BRD4 (0.35) KDM4EBRD4MEN1KMT2AKDM4C
SCHEMBL4679494 0.86 KDM4E (0.34) KDM4EMEN1KMT2AKDM4CSYK
SCHEMBL4678417 0.85 USP2 (0.38) BRD4ERCC5FEN1ALDH1A1
SCHEMBL4672419 0.84 KDM4E (0.39) KDM4EBRD4KDM4CADRA1DERCC5
SCHEMBL4672061 0.83 KDM4C (0.38) KDM4EBRD4MEN1KMT2AKDM4C
SCHEMBL4672046 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4672326 0.83 ALDH1A1 (0.38) KDM4EALDH1A1
SCHEMBL4679339 0.82 KDM4C (0.40) KDM4EBRD4KMT2AKDM4CADRA1D
SCHEMBL4674645 0.80 KDM4C (0.39) KDM4EBRD4KDM4CADRA1DERCC5

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 KDM4E 947/4885BRD4 728/4885MEN1 4663/4885

“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.