SCHEMBL4671233

SCHEMBL4671233

CCOC(=O)c1cc(C(=O)C=C(O)c2nc[nH]n2)n(Cc2ccccc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
RXFP1 Q9HBX9 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SLC26A6 Q9BXS9 2/20 0.36
GAA P10253 1/20 0.36
GNRHR P30968 5/20 0.36
GRM5 P41594 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL4673645 0.94 TP53 (0.40) TP53RXFP1LMNAKMT2AMEN1
SCHEMBL4673252 0.89 KDM5A (0.41) TP53RXFP1MAPTALDH1A1POLB
SCHEMBL4678513 0.88 TP53 (0.40) TP53RXFP1KMT2AMEN1SMN1; SMN2
SCHEMBL4677986 0.87 TP53 (0.42) TP53RXFP1SMN1; SMN2MAPTALDH1A1
SCHEMBL4673425 0.87 TP53 (0.40) TP53RXFP1LMNAKMT2AMEN1
SCHEMBL4672342 0.86 KDM5A (0.38) TP53RXFP1SMN1; SMN2MAPTALDH1A1
SCHEMBL4671016 0.86 MAPT (0.38) LMNASMN1; SMN2MAPTALDH1A1POLB
SCHEMBL4676422 0.85 OPRD1 (0.41) TP53LMNAKMT2AMEN1MAPT
SCHEMBL4676096 0.85 ALDH1A1 (0.39) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4671670 0.85 TP53 (0.42) TP53RXFP1SMN1; SMN2MAPTALDH1A1

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 3339/4885LMNA 659/4885

“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.