SCHEMBL14947700

SCHEMBL14947700

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
GSK3B P49841 1/20 0.44
GAA P10253 3/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CA1 P00915 1/20 0.35
PDE2A O00408 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
MAPT P10636 2/20 0.34
PARP1 P09874 1/20 0.34
ERN1 O75460 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LPO P22079 1/20 0.33
PTGS1 P23219 1/20 0.33
CYP3A4 P08684 1/20 0.33
BLM P54132 1/20 0.33
GRIA1 P42261 1/20 0.33

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
SCHEMBL14947699 0.79 SMN1; SMN2 (0.44) SMN1; SMN2GSK3BGAANPC1HTT
SCHEMBL11937375 0.74
SCHEMBL5935763 0.73
SCHEMBL18689667 0.70
SCHEMBL13375700 0.70
SCHEMBL2632907 0.70
SCHEMBL7161983 0.70
SCHEMBL21985337 0.68 MAPT (0.60) SMN1; SMN2GSK3BGAAPDE2ATNKS2
SCHEMBL28853985 0.68 SMN1; SMN2 (0.42) SMN1; SMN2GSK3BGAANPC1HTT
SCHEMBL10974012 0.67 NOS2 (0.43) SMN1; SMN2GAACYP1A2CYP2C19MAPT

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 2 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

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 752/4885GAA 2115/4885

“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.