SCHEMBL4674442

SCHEMBL4674442

O=C(C=C(O)c1nc[nH]n1)c1ccc(Sc2ccc(Cl)cc2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
PTPN11 Q06124 1/20 0.39
MAPT P10636 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.37
XBP1 P17861 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HAO1 Q9UJM8 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL4672389 0.89 PTPN11 (0.31) PTPN11MAPTMAPK1KDM4EPKM
SCHEMBL4673971 0.89 MAPT (0.31) MAPTMAPK1KDM4ELMNAPKM
SCHEMBL4673231 0.89 MAPT (0.31) MAPTMAPK1KDM4ELMNAPKM
SCHEMBL4675827 0.89 MAPT (0.38) SMN1; SMN2POLBPTPN11MAPTMEN1
SCHEMBL4673811 0.88 PTPN11 (0.43) POLBPTPN11MAPTMEN1KMT2A
SCHEMBL4672384 0.87 ALDH1A1 (0.41) POLBPTPN11MAPTMEN1KMT2A
SCHEMBL4670829 0.87 LMNA (0.37) POLBPTPN11MAPTMEN1KMT2A
SCHEMBL4673374 0.87 MAOA (0.34) KDM4EHAO1ALDH1A1MAOAMAOB
SCHEMBL4676640 0.84 PTPN11 (0.41) PTPN11MEN1KMT2ANPSR1HAO1
SCHEMBL4678600 0.83 HSD17B10 (0.41) SMN1; SMN2POLBMAPTMEN1KMT2A

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 SMN1; SMN2 4107/4885POLB 58/4885PTPN11 3101/4885

“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.