SCHEMBL4676370

SCHEMBL4676370

O=C(C=C(O)c1nc[nH]n1)c1coc(-c2ccccc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
BLVRB P30043 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MGAM O43451 2/20 0.32
GAA P10253 2/20 0.32
SI P14410 2/20 0.32

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
SCHEMBL4676970 0.85 NR4A2 (0.36) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL4672014 0.82 NR4A2 (0.37) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL4675280 0.82 KDM4E (0.46) MEN1KMT2AGPR55RAB9ANPC1
SCHEMBL4671438 0.82 NR4A1 (0.40) MGAMGAASIMGAM2PDE4B
SCHEMBL4674755 0.82 FFAR1 (0.33) RAB9ANPC1HTTPKMHPGD
SCHEMBL4674108 0.81 AR (0.32) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL4678756 0.79 NPC1 (0.34) RAB9ANPC1HTTPKMHPGD
SCHEMBL4671715 0.79 HTT (0.32) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL4674854 0.78 RAB9A (0.34) RAB9ANPC1HTTPKMHPGD
SCHEMBL4671834 0.78 NFE2L2 (0.33) MEN1KMT2ARAB9ANPC1HTT

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 597/4885GPR55 3090/4885

“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.