SCHEMBL4676441

SCHEMBL4676441

O=C(C=C(O)c1nc[nH]n1)c1cscc1Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM6B O15054 1/20 0.31
ALKBH2 Q6NS38 1/20 0.31
ALKBH3 Q96Q83 1/20 0.31
FTO Q9C0B1 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
KDM3A Q9Y4C1 1/20 0.31
PTPN1 P18031 2/20 0.30
PTPN2 P17706 1/20 0.30
PTPN6 P29350 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGDR Q13258 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4676567 0.91 CYP2C9 (0.33) CYP2C9
SCHEMBL4674587 0.90 LMNA (0.33) CYP2C9KDM4EALDH1A1
SCHEMBL4673139 0.90 PTGER4 (0.31) PTGER4PTGER2CYP2C9
SCHEMBL4677422 0.90 CYP2C9 (0.30) CYP2C9
SCHEMBL4671734 0.90 HCAR2 (0.39) PTGER4PTGER2KDM5BHCAR2
SCHEMBL4671272 0.88 KMT2A (0.36) PTGER4PTGER2ALDH1A1
SCHEMBL4673255 0.88 KDM5A (0.36) CYP2C9FTOKDM5BPTPN1KDM4E
SCHEMBL4673125 0.87 KDM4E (0.36) CYP2C9KDM4EALDH1A1
SCHEMBL4676073 0.87 MEN1 (0.32) CYP2C9PTPN1KDM4EALDH1A1
SCHEMBL4677808 0.82 HRH1 (0.32) HRH1PTPN1PTPN2PTPN6HCAR2

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 HRH1 1159/4885PTGER4 4235/4885PTGER2 4764/4885

“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.