SCHEMBL4674281

SCHEMBL4674281

O=C(Cc1ccsc1Sc1ccccc1)C(=O)c1nc[nH]n1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
GLA P06280 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 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
SCHEMBL4673835 0.82 CES1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL4675564 0.82 KDR (0.34) RAB9APOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL4675055 0.81 LMNA (0.32) ALDH1A1HPGDSMN1; SMN2MEN1MAPT
SCHEMBL4675261 0.80 TP53 (0.50) RAB9APTGDR2GLAALDH1A1HPGD
SCHEMBL4677850 0.79 PNP (0.34) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL4671967 0.78 KDM4E (0.31) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL4674494 0.78 HPGD (0.33) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL4679302 0.78 SIRT2 (0.30)
SCHEMBL4672601 0.78 LTB4R (0.34) SMN1; SMN2MAPTKMT2ATP53
SCHEMBL4679783 0.77 RPS6KB2 (0.32) NPC1

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 RAB9A 2021/4885POLB 58/4885PTGDR2 4591/4885

“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.