SCHEMBL4674012

SCHEMBL4674012

O=C(Cc1ccc(-c2ccc(F)cc2)o1)C(=O)c1nc[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 7/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 5/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GFER P55789 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
DDAH1 O94760 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL27575791 0.88 ALDH1A1 (0.47) MAPTGAAALDH1A1KDM4EPKM
SCHEMBL4673626 0.88 ALDH1A1 (0.50) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL4675310 0.88 ALDH1A1 (0.49) MAPTGAAALDH1A1KDM4EPKM
SCHEMBL4672584 0.87 NR4A1 (0.45) MAPTGAAALDH1A1KDM4EPKM
SCHEMBL3221462 0.84 CYP1A2 (0.35) MAPTALDH1A1KDM4ELMNAHPGD
Hydrochloric Acid SCHEMBL6853681 0.83 CYP1A2 (0.34) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL4673974 0.82 MAPT (0.31) MAPT
SCHEMBL4675087 0.82 ALDH1A1 (0.43) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL4678747 0.82 ALOX5 (0.38) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL4677489 0.81 POLB (0.30) POLB

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 MAPT 205/4885GAA 1884/4885ALDH1A1 980/4885

“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.