SCHEMBL4677108

SCHEMBL4677108

CCOC(=O)c1cc(C(=O)C=C(O)c2nc[nH]n2)cn1Cc1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
MAP4K4 O95819 1/20 0.33
KDM4E B2RXH2 1/20 0.33
IMPDH2 P12268 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAMPT P43490 4/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
KMT2A Q03164 2/20 0.32
F2RL3 Q96RI0 1/20 0.32
RECQL P46063 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
SCHEMBL4676028 0.94 MAPK10 (0.40) MAPK10USP2SMN1; SMN2POLBALDH1A1
SCHEMBL4675068 0.92 SMN1; SMN2 (0.41) MAPK10SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL4676299 0.90 MAPT (0.39) MAPK10SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL4675230 0.89 MAPT (0.44) USP2SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL4672821 0.89 USP2 (0.37) MAPK10USP2ALDH1A1CCNCCDK8
SCHEMBL5899353 0.86 USP2 (0.37) MAPK10USP2SMN1; SMN2POLBTDP1
SCHEMBL4678137 0.86 OPRD1 (0.39) USP2SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL4671193 0.86 USP2 (0.39) MAPK10USP2TDP1ALDH1A1MAPT
SCHEMBL4673982 0.86 ALDH1A1 (0.39) SMN1; SMN2POLBTDP1ALDH1A1MAPT
SCHEMBL5899342 0.86 MAPK10 (0.38) MAPK10USP2ALDH1A1CCNCCDK8

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
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
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 3545/4885SMN1; SMN2 4107/4885

“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.