SCHEMBL4673593

SCHEMBL4673593

COc1ccc(Cc2cc(CC(=O)C(=O)c3nn[nH]n3)co2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.36
CXCR3 P49682 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
KEAP1 Q14145 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
XDH P47989 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 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
SCHEMBL4678112 0.92 MAPK8 (0.40) MAPK8MAPK10PTGDR2CXCR3TAS2R14
SCHEMBL4674714 0.88 CYP2C19 (0.33) PTGDR2ALDH1A1CYP2C19
SCHEMBL4674378 0.86 XDH (0.39) LMNAKMT2AXDH
SCHEMBL4672959 0.86 IDH1 (0.32)
SCHEMBL4676745 0.86 TDP1 (0.34) PTGDR2CXCR3MAPTTP53
SCHEMBL4675582 0.86 IDH1 (0.44)
SCHEMBL4672335 0.85 CYP11B1 (0.33)
SCHEMBL4674409 0.84 PDE3B (0.35) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL4675749 0.84 ALDH1A1 (0.42) MAPK8MAPK10PTGDR2CXCR3LMNA
SCHEMBL4673389 0.81 MAPK8 (0.45) MAPK8MAPK10PTGDR2LMNAMAPT

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 MAPK8 2178/4885MAPK10 4133/4885PTGDR2 4591/4885

“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.