SCHEMBL5899362

SCHEMBL5899362

Cc1occ(C(=O)C=C(O)c2nc[nH]n2)c1Cc1ccncc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL4674960 0.88 LMNA (0.31) LMNA
SCHEMBL4675099 0.88
SCHEMBL4674214 0.86 ALDH1A1 (0.30) ALDH1A1LMNAHPGD
SCHEMBL4672755 0.84 ALDH1A1 (0.32) TBXAS1ALDH1A1LMNAHPGDPDE10A
SCHEMBL4675411 0.84 CYP11B1 (0.33) ALDH1A1LMNAHPGD
SCHEMBL4673237 0.84 GPR52 (0.34)
SCHEMBL4673027 0.82 TP53 (0.34) LMNA
SCHEMBL4673487 0.82 GPR52 (0.34)
SCHEMBL4677384 0.82 POLB (0.35) ALDH1A1LMNAHPGD
SCHEMBL4676185 0.82

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 4 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-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

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 TBXAS1 3205/4885ALDH1A1 980/4885LMNA 659/4885

“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.