SCHEMBL4673601

SCHEMBL4673601

O=C(Cc1nc(Cc2ccccc2F)cs1)C(=O)c1nn[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ELOVL1 Q9BW60 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PDE5A O76074 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
CXCR3 P49682 1/20 0.32
PRKACA P17612 1/20 0.32
ROCK1 Q13464 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4675179 0.92 LMNA (0.39) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL4671627 0.85 HDAC1 (0.42) LMNAKMT2ARAB9ANPC1ALDH1A1
SCHEMBL4675278 0.83 LMNA (0.36) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL4675556 0.83 HDAC6 (0.39) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL4676508 0.82 PDE5A (0.34) LMNAHPGDRAB9ANPC1MAPT
SCHEMBL4679149 0.82 HDAC1 (0.43) KMT2APTGDR2PRKACAROCK1SMN1; SMN2
SCHEMBL4676361 0.81 PTGDR2 (0.35) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL4677164 0.80 PTGDR2 (0.38) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL4677732 0.80 HDAC1 (0.32) HPGDKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4673451 0.79 PTPN1 (0.35) LMNAHPGDMEN1KMT2ARAB9A

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 LMNA 659/4885HPGD 2816/4885MEN1 4663/4885

“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.