SCHEMBL5899340

SCHEMBL5899340

O=C(Cc1ccc(Cc2ccc(F)cc2)o1)C(=O)c1nncs1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
NPSR1 Q6W5P4 2/20 0.33
RAB9A P51151 5/20 0.33
HPGD P15428 4/20 0.33
TP53 P04637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CES1 P23141 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 4/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ACHE P22303 1/20 0.32
KCNH2 Q12809 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL4673407 0.81 ALDH1A1 (0.43) POLBRAB9AHPGDTP53L3MBTL1
SCHEMBL5899339 0.78 CES1 (0.34) POLBNPSR1RAB9AHPGDTP53
SCHEMBL4675702 0.76 NPSR1 (0.56) POLBNPSR1RAB9AHPGDTP53
SCHEMBL3218296 0.76 ABL1 (0.46) POLBNPSR1RAB9AHPGDTP53
SCHEMBL3220725 0.75 L3MBTL1 (0.45) NPSR1L3MBTL1SMN1; SMN2CES1LMNA
SCHEMBL3216626 0.75 CYP1A2 (0.40) POLBRAB9AHPGDTP53L3MBTL1
SCHEMBL4674347 0.75 NPSR1 (0.44) POLBNPSR1RAB9AHPGDTP53
SCHEMBL4673722 0.75 LMNA (0.40) POLBRAB9AL3MBTL1SMN1; SMN2CES1
SCHEMBL4673604 0.74 NPC1 (0.38) POLBRAB9AHPGDTP53L3MBTL1
SCHEMBL3228436 0.74 CXCR3 (0.34) POLBNPSR1RAB9ATP53L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 58/4885NPSR1 937/4885RAB9A 2021/4885

“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.