SCHEMBL4676380

SCHEMBL4676380

COc1ccc(Cn2nccc2C(=O)C=C(O)c2nc[nH]n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.43
MCHR1 Q99705 1/20 0.40
UCHL1 P09936 1/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
PDE4B Q07343 1/20 0.36
BTK Q06187 1/20 0.36
DGAT1 O75907 1/20 0.35

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
SCHEMBL4672332 0.89 SMN1; SMN2 (0.38) NPBWR1MCHR1MAPTKMT2ASMN1; SMN2
SCHEMBL4671756 0.88 MAOB (0.34) MAPTKMT2ASMN1; SMN2
SCHEMBL4671755 0.87 NR3C2 (0.40) MAPTSMN1; SMN2
SCHEMBL4679537 0.87 NR3C2 (0.32)
SCHEMBL4678591 0.87 KDM4E (0.38)
SCHEMBL4678106 0.84 NPBWR1 (0.42) NPBWR1MCHR1UCHL1MAPTERCC5
SCHEMBL4674047 0.82 CA12 (0.45) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4675754 0.82 L3MBTL1 (0.45) NPBWR1MAPTMEN1KMT2AERCC5
SCHEMBL4674559 0.81 EGLN1 (0.42) SMN1; SMN2
SCHEMBL4675961 0.80 LMNA (0.39) UCHL1MAPT

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 5 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-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US 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 NPBWR1 684/4885MCHR1 180/4885UCHL1 1712/4885

“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.