SCHEMBL4673645

SCHEMBL4673645

CCOC(=O)c1cc(C(=O)C=C(O)c2nc[nH]n2)cn1Cc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
SLC26A6 Q9BXS9 2/20 0.36
GNRHR P30968 5/20 0.35
GAA P10253 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
SCHEMBL4671233 0.94 TP53 (0.40) TP53RXFP1KMT2AMEN1LMNA
SCHEMBL4672342 0.89 KDM5A (0.38) TP53RXFP1SMN1; SMN2MAPTALDH1A1
SCHEMBL4671670 0.88 TP53 (0.42) TP53RXFP1SMN1; SMN2MAPTALDH1A1
SCHEMBL4679072 0.87 KMT2A (0.39) TP53RXFP1KMT2AMEN1LMNA
SCHEMBL4673252 0.86 KDM5A (0.41) TP53RXFP1MAPTPOLBALDH1A1
SCHEMBL4676299 0.86 MAPT (0.39) RXFP1LMNASMN1; SMN2MAPTPOLB
SCHEMBL4678513 0.86 TP53 (0.40) TP53RXFP1KMT2AMEN1SMN1; SMN2
SCHEMBL4678137 0.85 OPRD1 (0.39) TP53KMT2AMEN1LMNASMN1; SMN2
SCHEMBL4673982 0.85 ALDH1A1 (0.39) LMNASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL4677986 0.85 TP53 (0.42) TP53RXFP1SMN1; SMN2MAPTPOLB

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 TP53 999/4885RXFP1 3339/4885KMT2A 597/4885

“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.