SCHEMBL4675285

SCHEMBL4675285

O=C(Cc1ccc(-c2ccccc2F)o1)C(=O)c1nc[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 1/20 0.39
PDE4B Q07343 2/20 0.38
MGAM O43451 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
SLC9A1 P19634 1/20 0.38
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4675310 0.83 ALDH1A1 (0.49) GAAMAPTTP53SMN1; SMN2KDM4E
SCHEMBL4677055 0.83 AR (0.33) MAPTRAB9ASMN1; SMN2HSD17B10MAPK1
SCHEMBL4672884 0.81 MEN1 (0.33) KMT2AMEN1
SCHEMBL27575791 0.81 ALDH1A1 (0.47) GAAMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL4674012 0.81 MAPT (0.38) GAAMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL4674757 0.81 ALDH1A1 (0.34) MAPTTP53RAB9AKDM4EALDH1A1
SCHEMBL4676373 0.81 RAB9A (0.34) GAAMAPTTP53RAB9ASMN1; SMN2
SCHEMBL4672584 0.81 NR4A1 (0.45) GAAMAPTTP53SMN1; SMN2KDM4E
SCHEMBL4678758 0.78 HIF1A (0.31) MAPTALDH1A1HTTHPGDNOTUM
SCHEMBL4671719 0.78 NOTUM (0.31) MAPTALDH1A1HTTHPGDNOTUM

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 5 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

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 AMY1A 1819/4885GAA 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.