SCHEMBL4676407

SCHEMBL4676407

O=C(Cc1csc(Cc2ccc(F)cc2)n1)C(=O)c1nn[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TACR3 P29371 1/20 0.35
ADRB3 P13945 1/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
PIN1 Q13526 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
SCHEMBL4675556 0.91 HDAC6 (0.39) HDAC1HDAC6LMNARAB9AGAA
SCHEMBL4677148 0.89 ALDH1A1 (0.37) HDAC1HDAC6LMNARAB9AGAA
SCHEMBL4676878 0.89 HDAC1 (0.39) HDAC1HDAC6LMNAGAAPOLB
SCHEMBL4675057 0.89 HDAC1 (0.47) HDAC1HDAC6LMNARAB9AGAA
SCHEMBL4674232 0.88 HDAC1 (0.37) HDAC1HDAC6
SCHEMBL4676194 0.88 HDAC1 (0.43) HDAC1HDAC6RAB9AGAANPC1
SCHEMBL4679026 0.87 XDH (0.38) HDAC1HDAC6LMNAGAAPOLB
SCHEMBL4674866 0.86 LMNA (0.46) HDAC1HDAC6LMNARAB9AGAA
SCHEMBL4675179 0.83 LMNA (0.39) HDAC1HDAC6LMNARAB9AGAA
SCHEMBL4674383 0.83 LMNA (0.40) HDAC1HDAC6LMNARAB9AGAA

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 HDAC1 250/4885HDAC6 1000/4885LMNA 659/4885

“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.