SCHEMBL4674133

SCHEMBL4674133

CC(=O)c1ccc(Oc2cc(CC(=O)C(=O)c3nc[nH]n3)co2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 11/20 0.33
HRH3 Q9Y5N1 3/20 0.33
GAA P10253 1/20 0.33
MAOA P21397 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4671241 0.89 MEN1 (0.34) MAPTRAB9AALDH1A1LMNAL3MBTL1
SCHEMBL4679246 0.87 P2RY14 (0.33) MAPTALDH1A1MAOBMAOA
SCHEMBL4676120 0.87 PARP10 (0.30)
SCHEMBL4671839 0.87 PTGER4 (0.34) ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4671492 0.84 P2RY14 (0.36) ALDH1A1LMNAMAOBSMN1; SMN2
SCHEMBL4673491 0.82 LMNA (0.38) LMNAGAA
SCHEMBL4673900 0.82 RAB9A (0.40) MAPTHPGDRAB9AALDH1A1LMNA
SCHEMBL4670557 0.82 KMT2A (0.38) LMNAMAOBMAOA
SCHEMBL4680231 0.81 MAPT (0.38) MAPTHPGDRAB9AALDH1A1LMNA
SCHEMBL4674640 0.80 RXRA (0.34) MAPTALDH1A1MAOB

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 205/4885HPGD 2816/4885RAB9A 2021/4885

“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.