SCHEMBL4087064

SCHEMBL4087064

O/N=C(\Cl)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
SRD5A2 P31213 4/20 0.48
LTA4H P09960 4/20 0.48
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
TSHR P16473 1/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAOA P21397 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL4087066 1.00 PARP10 (0.50) PARP10SRD5A2LTA4HNR1H2BAX
SCHEMBL16235775 0.84 MAOA (0.47) PARP10TSHRCA2MAOA
SCHEMBL16235776 0.84 MAOA (0.47) PARP10TSHRCA2MAOA
SCHEMBL518985 0.80 GAA (0.43) TSHRCA1CA2SMN1; SMN2
SCHEMBL404866 0.80 GAA (0.43) TSHRCA1CA2SMN1; SMN2
SCHEMBL404865 0.80 GAA (0.43) TSHRCA1CA2SMN1; SMN2
Hydrochloric Acid SCHEMBL7220016 0.78 GAA (0.41) TSHRCA1CA2SMN1; SMN2
Hydrochloric Acid SCHEMBL5129627 0.78 GAA (0.41) TSHRCA1CA2SMN1; SMN2
Hydrochloric Acid SCHEMBL7220018 0.78 GAA (0.41) TSHRCA1CA2SMN1; SMN2
SCHEMBL5431823 0.78 KMT2A (0.49) PARP10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US 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-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 PARP10 2477/4885SRD5A2 734/4885LTA4H 2579/4885

“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.