SCHEMBL4674494

SCHEMBL4674494

O=C(Cc1nc(Sc2ccccc2)cs1)C(=O)c1nc[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CXCL12 P48061 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
LMNA P02545 3/20 0.30
TP53 P04637 1/20 0.30
PTGER1 P34995 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
SCHEMBL4670982 0.83 CES1 (0.36) HPGDHTTNCOA1NCOA3CXCL12
SCHEMBL4676893 0.81 HDAC1 (0.42) ALDH1A1HDAC6KMT2AHDAC8LMNA
SCHEMBL4672708 0.81 GAA (0.36) HPGDHTTCXCL12ALDH1A1LMNA
SCHEMBL4679302 0.79 SIRT2 (0.30)
SCHEMBL4673943 0.79 LOXL2 (0.41) HTTALDH1A1POLB
SCHEMBL4674281 0.78 RAB9A (0.32) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL4675564 0.78 KDR (0.34) HPGDALDH1A1POLBTDP1MEN1
SCHEMBL4679783 0.78 RPS6KB2 (0.32)
SCHEMBL4677850 0.78 PNP (0.34) HPGDALDH1A1TDP1MAPK1MEN1
SCHEMBL4675278 0.77 LMNA (0.36) HPGDHTTALDH1A1TDP1MAPK1

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 HPGD 2816/4885HTT 1204/4885NCOA1 244/4885

“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.