SCHEMBL4672269

SCHEMBL4672269

O=C(C=C(O)c1nn[nH]n1)c1cc(C(=O)O)n(Cc2ccncc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MAP4K4 O95819 1/20 0.36
USP2 O75604 1/20 0.35
MAPK10 P53779 1/20 0.35
MARS1 P56192 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CES1 P23141 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRD1 P41143 1/20 0.31
P2RY14 Q15391 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
BRD4 O60885 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 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
SCHEMBL4677380 0.93 CCNC (0.37) CCNCCDK8MAP4K4USP2MAPK10
SCHEMBL4675042 0.90 CCNC (0.39) CCNCCDK8MAP4K4USP2MAPK10
SCHEMBL4673460 0.89 CA12 (0.39) P2RY14
SCHEMBL4674207 0.89 CES1 (0.31) MAP4K4CES1NCEH1
SCHEMBL4673555 0.89 MCL1 (0.35) P2RY14
SCHEMBL4676062 0.88 XDH (0.36) MAPK10P2RY14ERCC5FEN1
SCHEMBL5899353 0.88 USP2 (0.37) CCNCCDK8MAP4K4USP2MAPK10
SCHEMBL4680101 0.87 CCNC (0.39) CCNCCDK8MAP4K4USP2MAPK10
SCHEMBL4673319 0.86 CCR2 (0.37) MAPK10MEN1KMT2A
SCHEMBL4673301 0.85 USP2 (0.36) CCNCCDK8MAP4K4USP2MAPK10

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-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

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 CCNC 543/4885CDK8 81/4885MAP4K4 2369/4885

“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.