SCHEMBL4673604

SCHEMBL4673604

Cc1nc(C(=O)C(=O)Cc2ccc(Cc3ccc(F)cc3)o2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 5/20 0.38
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HIF1A Q16665 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TLR7 Q9NYK1 1/20 0.34
TP53 P04637 4/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL4674903 0.81 P2RX7 (0.38) NPC1RAB9ALMNAKMT2ASMN1; SMN2
SCHEMBL3228406 0.79 ALDH1A1 (0.43) NPC1RAB9ALMNAKMT2ASMN1; SMN2
SCHEMBL4673599 0.78 LMNA (0.37) NPC1RAB9ALMNAKMT2ASMN1; SMN2
SCHEMBL3220608 0.78 CES1 (0.43) NPC1RAB9ALMNAKMT2ASMN1; SMN2
SCHEMBL3225916 0.77 KDM4E (0.41) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4672569 0.77 KDM4E (0.41) KDM4ETDP1ALOX15
SCHEMBL3224654 0.76 TP53 (0.33) NPC1RAB9ALMNAKMT2ASMN1; SMN2
SCHEMBL4672770 0.76 CYP1A2 (0.50) LMNAKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL4677829 0.75 ALDH1A1 (0.41) NPC1RAB9ALMNAKMT2ASMN1; SMN2
SCHEMBL4674347 0.75 NPSR1 (0.44) NPC1RAB9ALMNAKMT2ASMN1; 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 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 NPC1 934/4885RAB9A 2021/4885LMNA 659/4885

“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.