SCHEMBL4671850

SCHEMBL4671850

O=C(c1ccccc1)c1cc(C(=O)C=C(O)c2nc[nH]n2)n(Cc2cccc(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
POLB P06746 1/20 0.38
GAA P10253 2/20 0.38
ALKBH1 Q13686 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.36
NTRK1 P04629 1/20 0.36
OPRD1 P41143 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR4A2 P43354 1/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL4671365 0.94 KDM4C (0.39) KDM4CPOLBGAAALKBH1ALDH1A1
SCHEMBL4672204 0.92 ALKBH1 (0.43) KDM4CGAAALKBH1BRD4NR4A2
SCHEMBL4677818 0.91 POLB (0.48) KDM4CPOLBGAAALDH1A1MEN1
SCHEMBL5899403 0.89 ALKBH1 (0.40) KDM4CGAAALKBH1ALDH1A1BRD4
SCHEMBL4677554 0.88 GPR52 (0.37) KDM4CGAAALKBH1ALDH1A1NTRK1
SCHEMBL4676422 0.87 OPRD1 (0.41) ALKBH1ALDH1A1MEN1KMT2ABRD4
SCHEMBL4672392 0.86 OPRD1 (0.38) KDM4CGAAALKBH1ALDH1A1MEN1
SCHEMBL4672995 0.86 CCNC (0.39) KDM4CPOLBGAAALKBH1ALDH1A1
SCHEMBL4674956 0.85 POLB (0.38) KDM4CPOLBGAAALDH1A1BRD4
SCHEMBL4676990 0.85 LMNA (0.42) POLBALDH1A1MEN1HPGDKMT2A

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 KDM4C 785/4885POLB 58/4885GAA 1884/4885

“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.