SCHEMBL4675702

SCHEMBL4675702

O=C(Cc1ccc(Cc2ccc(F)cc2)o1)C(=O)c1nnc(Cc2ccc(F)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
TP53 P04637 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
THRB P10828 2/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4674347 0.86 NPSR1 (0.44) NPSR1TP53L3MBTL1THRBMAPT
SCHEMBL4677829 0.79 ALDH1A1 (0.41) NPSR1TP53L3MBTL1MAPTNPC1
SCHEMBL3220725 0.77 L3MBTL1 (0.45) NPSR1L3MBTL1LMNAMAPK1ALDH1A1
SCHEMBL3216626 0.77 CYP1A2 (0.40) TP53L3MBTL1NPC1POLBRAB9A
SCHEMBL4673722 0.76 LMNA (0.40) L3MBTL1MAPTPOLBRAB9ALMNA
SCHEMBL5899340 0.76 POLB (0.36) NPSR1TP53L3MBTL1NPC1POLB
SCHEMBL3228436 0.76 CXCR3 (0.34) NPSR1TP53L3MBTL1NPC1POLB
SCHEMBL3224654 0.75 TP53 (0.33) NPSR1TP53L3MBTL1THRBMAPT
SCHEMBL3223392 0.74 CES2 (0.44) TP53L3MBTL1MAPTNPC1POLB
SCHEMBL3220608 0.74 CES1 (0.43) MAPTNPC1RAB9ALMNASMN1; SMN2

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 NPSR1 937/4885TP53 999/4885L3MBTL1 1170/4885

“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.