Sugi Predict

Sugi Predict / Compounds / SCHEMBL4673255

SCHEMBL4673255

SCHEMBL4673255

COc1ccc(Cc2cscc2C(=O)C=C(O)c2nc[nH]n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ASPH Q12797 2/20 0.33
▸ KDM8 Q8N371 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RIOX2 Q8IUF8 1/20 0.33

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
SCHEMBL4673139 0.90 PTGER4 (0.31) CYP2C9
SCHEMBL4676441 0.88 HRH1 (0.34) KDM5BFTOALDH1A1KDM4ECYP2C9
SCHEMBL4671272 0.88 KMT2A (0.36) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4674587 0.88 LMNA (0.33) ALDH1A1KDM4EMAPTLMNACYP2C9
SCHEMBL4677422 0.88 CYP2C9 (0.30) CYP2C9
SCHEMBL4676567 0.86 CYP2C9 (0.33) CYP2C9
SCHEMBL4671442 0.85 MAPK8 (0.37) FTOALDH1A1MAPTLMNATP53
SCHEMBL4677522 0.84 KDM5A (0.36) KDM5AKDM5BFTOALDH1A1KDM4E
SCHEMBL4672766 0.82 LTB4R (0.39) KDM5AKDM5BALDH1A1MAPTSMN1; SMN2
SCHEMBL4677254 0.82 MAPK8 (0.36) KDM5AKDM5BALDH1A1MAPTSMN1; SMN2

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 KDM5A 1534/4885KDM5B 1480/4885FTO 2942/4885

“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.