SCHEMBL4673393

SCHEMBL4673393

O=C(C=C(O)c1nc[nH]n1)c1cocc1Sc1ccc(C(F)(F)F)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.32
HAO1 Q9UJM8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
PPARA Q07869 2/20 0.30

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
SCHEMBL4675083 0.89 SLC6A2 (0.34) KDM4EALDH1A1SMN1; SMN2
SCHEMBL4670808 0.87 ALDH1A1 (0.33) KDM4EALDH1A1MAPTSMN1; SMN2ICAM1
SCHEMBL4676259 0.87 CYP2C9 (0.32)
SCHEMBL4673343 0.87 HAO1 (0.34) HAO1ALDH1A1SMN1; SMN2
SCHEMBL4673116 0.85 MMP2 (0.34) HAO1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4672184 0.85 HPGD (0.36) ALDH1A1
SCHEMBL4671054 0.84 KDM4E (0.34) KDM4EMAPTICAM1
SCHEMBL4676661 0.82 HAO1 (0.32) PPARDHAO1PPARA
SCHEMBL4672110 0.82 HAO1 (0.32) PPARDHAO1KDM4EALDH1A1MAPT
SCHEMBL4674602 0.81 ALDH1A1 (0.34) PPARDALDH1A1ICAM1SELE

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 PPARD 3054/4885HAO1 600/4885KDM4E 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.