SCHEMBL4673729

SCHEMBL4673729

COc1ccc(Cc2ccc(C(=O)C=C(O)c3nn[nH]n3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MAPT P10636 3/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
FFAR1 O14842 1/20 0.36
ABL1 P00519 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MPI P34949 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4674669 0.89 MEN1 (0.33) TP53MAPTALDH1A1LMNAABL1
SCHEMBL4680401 0.87 CES1 (0.42) TP53MAPTHDAC4HDAC6ALDH1A1
SCHEMBL4671694 0.87 TSHR (0.40) LMNAMEN1KMT2AERCC5FEN1
SCHEMBL4679001 0.86 CES1 (0.33) MEN1KMT2A
SCHEMBL4675639 0.86 ALOX5 (0.34) TP53MAPTALDH1A1LMNAABL1
SCHEMBL4677888 0.85 CES1 (0.33) MEN1RAB9AKMT2AERCC5FEN1
SCHEMBL4672926 0.84 TP53 (0.42) TP53MAPTHDAC4HDAC6ALDH1A1
SCHEMBL4675339 0.83 MAPK8 (0.39) TP53MAPTMAPK8MAPK10ALDH1A1
SCHEMBL4673387 0.82 MAPK8 (0.43) MAPK8MAPK10FFAR1MEN1KMT2A
SCHEMBL4675745 0.81 ALDH1A1 (0.43) TP53MAPK8MAPK10ALDH1A1LMNA

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 TP53 999/4885MAPT 205/4885MAPK8 2178/4885

“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.