SCHEMBL4672164

SCHEMBL4672164

Cc1ccc(Cc2cc(C(=O)C=C(O)c3nn[nH]n3)[nH]n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
ALPL P05186 1/20 0.34
MMEL1 Q495T6 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CES1 P23141 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
NOTUM Q6P988 1/20 0.33
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
SRD5A2 P31213 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4678260 0.89 XDH (0.38) MMEL1CES1NCEH1
SCHEMBL4679659 0.89 ALPL (0.34) ALPLMMEL1CES1NCEH1
SCHEMBL4671300 0.89 CA12 (0.34) MAPTALPLMMEL1CES1NCEH1
SCHEMBL4673946 0.89 ALPL (0.37) MAPTTP53ALPLMAPK1GAA
SCHEMBL4678660 0.88 CES1 (0.33) MAPK1CES1NCEH1GAAHPGD
SCHEMBL4674016 0.83 MAPT (0.38) MAPTTP53ALPLPOLBMAPK1
SCHEMBL4672107 0.82 HCAR2 (0.42) MAPTPOLBMAPK1CES1NCEH1
SCHEMBL4670636 0.80 MAPT (0.40) MAPTTP53ALPLPOLBMAPK1
SCHEMBL4673691 0.80 PIN1 (0.38) MAPTPOLBMAPK1CES1NCEH1
SCHEMBL4679194 0.79 HCAR3 (0.39) MMEL1CES1NCEH1

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
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 MAPT 205/4885TP53 999/4885ALPL 1995/4885

“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.