SCHEMBL4672974

SCHEMBL4672974

O=C(C=C(O)c1nc[nH]n1)c1cc(CCc2ccccc2)cn1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
CNR2 P34972 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
PTGER4 P35408 1/20 0.35
CNR1 P21554 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 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
SCHEMBL4671084 0.94 CCNC (0.35) CA12CA1CA2CA9KMT2A
SCHEMBL4677554 0.92 GPR52 (0.37) L3MBTL1PTGER4LMNA
SCHEMBL4674586 0.91 CCNC (0.34) KMT2ARAB9ANPC1
SCHEMBL4673986 0.91 ALDH1A1 (0.36) POLBRAB9ATP53NPC1LMNA
SCHEMBL4678186 0.90 LMNA (0.35) L3MBTL1KMT2ARAB9ATP53NPC1
SCHEMBL4676226 0.90 CCNC (0.41) CNR2POLBKMT2ARAB9ACNR1
SCHEMBL4678616 0.89 LMNA (0.41) KMT2ARAB9ANPC1LMNA
SCHEMBL4673271 0.89 CA12 (0.39) CA12CA1CA2CA9POLB
SCHEMBL4679241 0.88 TP53 (0.36) L3MBTL1POLBKMT2ATP53RXFP1
SCHEMBL5899408 0.87 PLA2G4A (0.39) TP53LMNA

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 CA12 4245/4885CA1 3590/4885CA2 2384/4885

“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.