SCHEMBL4173560

SCHEMBL4173560

O=C1COc2ccc(C(=O)CCCl)cc2N1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.80
MAPT P10636 6/20 0.80
RXFP1 Q9HBX9 2/20 0.58
PKM P14618 3/20 0.57
KDM4E B2RXH2 1/20 0.57
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
GAA P10253 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL4850707 0.91 ALDH1A1 (0.74) ALDH1A1MAPTRXFP1PKMKDM4E
SCHEMBL29550875 0.89 ALDH1A1 (1.00) ALDH1A1MAPTRXFP1PKMKDM4E
SCHEMBL532500 0.89 ALDH1A1 (1.00) ALDH1A1MAPTRXFP1PKMKDM4E
SCHEMBL7341640 0.86 ALDH1A1 (0.71) ALDH1A1MAPTRXFP1PKMKDM4E
SCHEMBL4289121 0.84 ALDH1A1 (0.71) ALDH1A1MAPTRXFP1PKMKDM4E
SCHEMBL10652999 0.83 MAPT (0.78) ALDH1A1MAPTRXFP1PKMKDM4E
SCHEMBL4291442 0.83 ALDH1A1 (0.75) ALDH1A1MAPTRXFP1PKMKDM4E
SCHEMBL4264178 0.83 ALDH1A1 (0.75) ALDH1A1MAPTRXFP1PKMKDM4E
SCHEMBL4861393 0.83 ALDH1A1 (0.67) ALDH1A1MAPTRXFP1PKMKDM4E
SCHEMBL27593103 0.83 ALDH1A1 (0.67) ALDH1A1MAPTRXFP1PKMKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO 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 (2 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX ALDH1A1 313/4885MAPT 2057/4885RXFP1 312/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX ALDH1A1 736/4885MAPT 1924/4885RXFP1 413/4885

“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.