SCHEMBL4675809

SCHEMBL4675809

O=C(C=C(O)c1nc[nH]n1)c1occc1Sc1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SLC6A9 P48067 6/20 0.35
CYP2C9 P11712 1/20 0.32
IDO1 P14902 1/20 0.32
RHEB Q15382 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
PTPN1 P18031 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
NOTUM Q6P988 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
SCHEMBL4676398 0.88 HAO1 (0.34) MEN1KMT2ASLC6A9RHEBLMNA
SCHEMBL4676454 0.87 EDNRA (0.38) MEN1KMT2AIDO1LMNANOTUM
SCHEMBL4671930 0.86 KDR (0.35) MEN1KMT2AGAAMAPTSLC6A2
SCHEMBL4672075 0.84 MEN1 (0.35) MEN1KMT2AGAAMAPTHPGD
SCHEMBL4670523 0.83 PKM (0.35) MEN1KMT2AGAAMAPTHPGD
SCHEMBL4675243 0.82 MEN1 (0.35) MEN1KMT2AGAAMAPTHPGD
SCHEMBL4673110 0.82 ICAM1 (0.32) GAAMAPTHPGDSLC6A9LMNA
SCHEMBL4676397 0.82 CYP2C9 (0.32) HPGDCYP2C9
SCHEMBL4676827 0.81 TP53 (0.34) MEN1KMT2AGAAMAPTHPGD
SCHEMBL4672775 0.81 KMO (0.37) MEN1KMT2AMAPTALDH1A1

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 MEN1 4663/4885KMT2A 597/4885GAA 1884/4885

“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.