SCHEMBL14947699

SCHEMBL14947699

Cc1nc(/C=C/Br)cc(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
GSK3B P49841 1/20 0.41
SLC6A3 Q01959 1/20 0.36
IP6K1 Q92551 1/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 3/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
PARP1 P09874 2/20 0.33
HTT P42858 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PDE2A O00408 4/20 0.33
CA1 P00915 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL14947700 0.79 SMN1; SMN2 (0.48) SMN1; SMN2GSK3BSLC6A3GAAMAPT
SCHEMBL14947698 0.73 SMN1; SMN2 (0.35) SMN1; SMN2GSK3B
SCHEMBL2632907 0.70
SCHEMBL5935763 0.69
SCHEMBL11937375 0.66
SCHEMBL18689667 0.66
SCHEMBL13375700 0.66
SCHEMBL7161983 0.66
SCHEMBL26354753 0.65 SMN1; SMN2 (0.47) SMN1; SMN2GSK3BSLC6A3GAANPC1
SCHEMBL4643669 0.63 GSK3B (0.72) SMN1; SMN2GSK3BGAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
WO-2013071232-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TBL-1 BINDING TO DISEASE-ASSOCIATED MOLECULES BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 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 (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-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules TBL2, TBL3, TBL1XR1 SMN1; SMN2 2803/4885GSK3B 752/4885SLC6A3 4576/4885

“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.