SCHEMBL4674559

SCHEMBL4674559

COc1ccc(Cn2cc(C(=O)O)cc2C(=O)C=C(O)c2nc[nH]n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.42
ALKBH1 Q13686 1/20 0.41
LMNA P02545 1/20 0.39
MMP13 P45452 3/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN11 Q06124 1/20 0.38
CHRM1 P11229 2/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
PLA2G4B P0C869 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL4671188 0.93 EGLN1 (0.39) EGLN1ALKBH1LMNAMMP13PTPN11
SCHEMBL5899364 0.91 LMNA (0.47) LMNANPC1RAB9ACHRM1
SCHEMBL4675256 0.90 KDM4E (0.36) EGLN1LMNAPOLBBRD4
SCHEMBL4676476 0.90 MAPT (0.42) LMNANPC1RAB9A
SCHEMBL4675961 0.89 LMNA (0.39) EGLN1LMNAMMP13CHRM1BRD4
SCHEMBL4672483 0.89 ALDH1A1 (0.36) EGLN1
SCHEMBL4672591 0.88 CA12 (0.42) ALKBH1MMP13NPC1POLBRAB9A
SCHEMBL4671944 0.88 ALDH1A1 (0.33) EGLN1ALKBH1
SCHEMBL4675268 0.88 LMNA (0.46) LMNANPC1POLBRAB9ASMN1; SMN2
SCHEMBL4675230 0.87 MAPT (0.44) EGLN1LMNANPC1POLBRAB9A

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 EGLN1 2213/4885ALKBH1 333/4885LMNA 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.