SCHEMBL5899342

SCHEMBL5899342

O=C(O)c1cc(C(=O)C=C(O)c2nc[nH]n2)n(Cc2ccncc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.38
USP2 O75604 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP13 P45452 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
PABPC1 P11940 1/20 0.31
MARS1 P56192 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL4672821 0.93 USP2 (0.37) MAPK10USP2CCNCCDK8MEN1
SCHEMBL4672995 0.90 CCNC (0.39) MAPK10USP2CCNCCDK8MEN1
SCHEMBL4672591 0.89 CA12 (0.42) MMP13CNR2KDM5AKDM4CKDM5B
SCHEMBL4671944 0.89 ALDH1A1 (0.33) MAPK10CCNCCDK8MEN1KMT2A
SCHEMBL4675256 0.89 KDM4E (0.36) MAPK10L3MBTL1BRD4ALDH1A1CNR2
SCHEMBL4676028 0.88 MAPK10 (0.40) MAPK10USP2CCNCCDK8KMT2A
SCHEMBL4672483 0.88 ALDH1A1 (0.36) MAPK10MEN1KMT2AALDH1A1TP53
SCHEMBL4671193 0.88 USP2 (0.39) MAPK10USP2CCNCCDK8MEN1
SCHEMBL4671392 0.87 CCNC (0.39) MAPK10USP2CCNCCDK8MEN1
SCHEMBL4674559 0.87 EGLN1 (0.42) MMP13BRD4EGLN1

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
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 MAPK10 4133/4885USP2 3545/4885CCNC 543/4885

“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.