SCHEMBL4677384

SCHEMBL4677384

Cc1oc(Cc2ccncc2)cc1C(=O)C=C(O)c1nc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
APEX1 P27695 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP11B1 P15538 3/20 0.33
TTR P02766 2/20 0.33
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
CYP11B2 P19099 2/20 0.32
GLA P06280 1/20 0.32
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.31
RECQL P46063 2/20 0.31
FLT1 P17948 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 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
SCHEMBL4679140 0.88 LMNA (0.33) CYP11B1PIM1PIM2CYP11B2GLA
SCHEMBL5899358 0.88 CYP11B1 (0.35) CYP11B1PIM1PIM2CYP11B2
SCHEMBL4674293 0.86 CYP11B1 (0.33) POLBTDP1CYP11B1PIM1PIM2
SCHEMBL4671861 0.84 PIM1 (0.32) PIM1PIM2ALDH1A1KDM4EMAPT
SCHEMBL4674759 0.84 NR3C2 (0.36) RAB9ACYP11B1PIM1PIM2CYP11B2
SCHEMBL4675221 0.82 KDM4E (0.34) POLBTDP1L3MBTL1APEX1NPC1
SCHEMBL4671675 0.82 LMNA (0.34) POLBNPC1RAB9ACYP11B1PIM1
SCHEMBL4676626 0.82 LMNA (0.33) L3MBTL1CYP11B1PIM1PIM2CYP11B2
SCHEMBL5899362 0.82 TBXAS1 (0.32) ALDH1A1HPGDLMNA
SCHEMBL4675917 0.82 CYP11B1 (0.35) CYP11B1PIM1PIM2CYP11B2

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 POLB 58/4885TDP1 306/4885L3MBTL1 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.