SCHEMBL4675243

SCHEMBL4675243

O=C(C=C(O)c1nc[nH]n1)c1cocc1Sc1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A9 P48067 6/20 0.35
IDO1 P14902 1/20 0.32
RHEB Q15382 1/20 0.32
TP53 P04637 2/20 0.32
PDE4B Q07343 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
NOTUM Q6P988 1/20 0.30
CYP2C9 P11712 1/20 0.30
POLB P06746 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
SCHEMBL4673343 0.88 HAO1 (0.34) MEN1KMT2ASLC6A9RHEB
SCHEMBL4675136 0.87 MEN1 (0.37) MEN1HPGDKMT2AIDO1PDE4B
SCHEMBL4675083 0.86 SLC6A2 (0.34) MEN1GAAKMT2ASLC6A2SLC6A4
SCHEMBL4677976 0.83 PKM (0.37) MEN1MAPTHPGDKMT2A
SCHEMBL4675809 0.82 MEN1 (0.35) MEN1GAAMAPTHPGDKMT2A
SCHEMBL4672075 0.82 MEN1 (0.35) MEN1GAAMAPTHPGDKMT2A
SCHEMBL4670808 0.82 ALDH1A1 (0.33) GAAMAPTHPGDSLC6A9TP53
SCHEMBL4676259 0.82 CYP2C9 (0.32) HPGDCYP2C9
SCHEMBL4676827 0.81 TP53 (0.34) MEN1GAAMAPTHPGDKMT2A
SCHEMBL4671724 0.80 MEN1 (0.35) MEN1GAAMAPTHPGDKMT2A

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 4663/4885GAA 1884/4885MAPT 205/4885

“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.