Sugi Predict

Sugi Predict / Compounds / SCHEMBL4672776

SCHEMBL4672776

SCHEMBL4672776

COc1ccccc1Oc1ccc(C(=O)C=C(O)c2nc[nH]n2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 6/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ HTT P42858 2/20 0.35
▸ RXRA P19793 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SLC9A1 P19634 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP2C19 P33261 2/20 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
SCHEMBL4675045 0.87 HPGD (0.34) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL4676006 0.85 NPSR1 (0.37) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL4678199 0.85 MAPT (0.38) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL4673475 0.85 RXRA (0.38) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
SCHEMBL4678796 0.83 LMNA (0.38) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL4672006 0.83 HTT (0.36) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL4675307 0.82 HPGD (0.46) ALDH1A1HSD17B10HPGDTDP1MAPT
SCHEMBL4678887 0.81 PTPN11 (0.46) ALDH1A1HSD17B10KDM4EHPGDTDP1
SCHEMBL4673377 0.81 KMT2A (0.37) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL4678744 0.81 ALOX5 (0.39) ALDH1A1MAPTMAPK1LMNA

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 5 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
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 ALDH1A1 980/4885HSD17B10 241/4885KDM4E 947/4885

“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.