SCHEMBL4674586

SCHEMBL4674586

Nc1ccc(Cn2cc(CCc3ccccc3)cc2C(=O)C=C(O)c2nc[nH]n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G4A P47712 1/20 0.33
HIF1A Q16665 1/20 0.33
FAAH O00519 1/20 0.32
ACHE P22303 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
PLA2G2A P14555 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
SCHEMBL4671084 0.94 CCNC (0.35) CCNCCDK8MEN1KMT2APLA2G4A
SCHEMBL4673986 0.91 ALDH1A1 (0.36) NPC1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL4672974 0.91 CA12 (0.39) NPC1RAB9AKMT2A
SCHEMBL4678186 0.90 LMNA (0.35) MAOBNPC1RAB9AKMT2APLA2G4A
SCHEMBL4676226 0.90 CCNC (0.41) CCNCCDK8RAB9AMEN1KMT2A
SCHEMBL4678616 0.89 LMNA (0.41) NPC1RAB9AMEN1KMT2APLA2G2A
SCHEMBL5899408 0.87 PLA2G4A (0.39) CCNCCDK8PLA2G4APLA2G2A
SCHEMBL4671944 0.86 ALDH1A1 (0.33) CCNCCDK8MEN1KMT2A
SCHEMBL4677554 0.86 GPR52 (0.37) SMN1; SMN2
SCHEMBL4677334 0.85 CES1 (0.40) CCNCCDK8MAOAMAOBMEN1

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 CCNC 543/4885CDK8 81/4885MAOA 238/4885

“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.