SCHEMBL5899353

SCHEMBL5899353

CCOC(=O)c1cc(C(=O)C=C(O)c2nn[nH]n2)cn1Cc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
MAPK10 P53779 1/20 0.37
AGTR1 P30556 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAP4K4 O95819 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CASP1 P29466 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL4730771 0.94 USP2 (0.40) USP2MAPK10AGTR1SMN1; SMN2POLB
SCHEMBL4674364 0.92 SMN1; SMN2 (0.41) AGTR1SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL4671692 0.90 POLB (0.39) AGTR1SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL4675693 0.90 MAPT (0.43) AGTR1SMN1; SMN2POLBALDH1A1MAPT
SCHEMBL4672269 0.88 CCNC (0.36) USP2MAPK10MAP4K4CCNCCDK8
SCHEMBL4677108 0.86 MAPK10 (0.38) USP2MAPK10SMN1; SMN2POLBTDP1
SCHEMBL4675836 0.86 PTGDR2 (0.38) USP2AGTR1SMN1; SMN2POLBTDP1
SCHEMBL4677387 0.85 AGTR1 (0.40) AGTR1SMN1; SMN2TDP1F2RL3ALDH1A1
SCHEMBL4672326 0.85 ALDH1A1 (0.38) AGTR1SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL4673301 0.85 USP2 (0.36) USP2MAPK10AGTR1MAP4K4CCNC

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 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.