SCHEMBL4730771

SCHEMBL4730771

CCOC(=O)c1cc(C(=O)C=C(O)c2nn[nH]n2)n(Cc2ccncc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
MAPK10 P53779 1/20 0.40
AGTR1 P30556 2/20 0.36
NAMPT P43490 4/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
MAP4K4 O95819 2/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5899353 0.94 USP2 (0.37) USP2MAPK10AGTR1F2RL3MAP4K4
SCHEMBL4677387 0.92 AGTR1 (0.40) AGTR1F2RL3SMN1; SMN2ALDH1A1LMNA
SCHEMBL4673424 0.90 MAPT (0.38) AGTR1F2RL3POLBALDH1A1KDM4E
SCHEMBL4672810 0.89 MAPT (0.42) AGTR1KMT2AMAPTL3MBTL1
SCHEMBL4673301 0.88 USP2 (0.36) USP2MAPK10AGTR1MAP4K4
SCHEMBL4677380 0.88 CCNC (0.37) USP2MAPK10NAMPTKMT2AMAP4K4
SCHEMBL4676028 0.86 MAPK10 (0.40) USP2MAPK10NAMPTGAAKMT2A
SCHEMBL4674244 0.86 OPRD1 (0.39) USP2AGTR1KMT2AF2RL3SMN1; SMN2
SCHEMBL4674364 0.85 SMN1; SMN2 (0.41) AGTR1POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL4676931 0.85 ALDH1A1 (0.38) AGTR1GAAKMT2APOLBSMN1; SMN2

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 USP2 3545/4885MAPK10 4133/4885AGTR1 139/4885

“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.