Sugi Predict

Sugi Predict / Compounds / SCHEMBL4671365

SCHEMBL4671365

SCHEMBL4671365

O=C(C=C(O)c1nc[nH]n1)c1cc(C(=O)c2ccccc2)n(Cc2cccc(F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ ALKBH1 Q13686 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ GPR52 Q9Y2T5 1/20 0.34
▸ DBH P09172 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL4671850 0.94 KDM4C (0.40) KDM4CGAAALKBH1BRD4ALDH1A1
SCHEMBL5899403 0.92 ALKBH1 (0.40) KDM4CGAAALKBH1BRD4ALDH1A1
SCHEMBL4670976 0.91 POLB (0.43) KDM4CALDH1A1LMNAHPGDPOLB
SCHEMBL4672204 0.89 ALKBH1 (0.43) KDM4CGAAALKBH1BRD4NR4A2
SCHEMBL4678137 0.87 OPRD1 (0.39) GAAALKBH1BRD4ALDH1A1TDP1
SCHEMBL4671392 0.86 CCNC (0.39) KDM4CGAAALDH1A1LMNASMN1; SMN2
SCHEMBL4672190 0.86 KDM4C (0.38) KDM4CGAABRD4ALDH1A1TDP1
SCHEMBL4671670 0.85 TP53 (0.42) KDM4CGAAALKBH1BRD4ALDH1A1
SCHEMBL4676801 0.85 LMNA (0.42) BRD4ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL4677554 0.85 GPR52 (0.37) KDM4CGAAALKBH1ALDH1A1TDP1

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 6 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
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 785/4885GAA 1884/4885ALKBH1 333/4885

“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.