SCHEMBL13237010

SCHEMBL13237010

CC(=O)Nc1ccc2c(c1)cc(C=O)n2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
NR1H2 P55055 5/20 0.39
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
MAPT P10636 2/20 0.37
BRD4 O60885 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
RAB9A P51151 1/20 0.36
TNNC1 P63316 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
SCHEMBL13237432 0.80 NR1H2 (0.41) NR1H2GABRG2GABRB3GABRA5
SCHEMBL23928895 0.80 CCNB2 (0.41) NR1H2
SCHEMBL1760451 0.78 NR1H2 (0.54) NR1H2
SCHEMBL30356579 0.78 NR1H2 (0.54) NR1H2
SCHEMBL3036607 0.77 MMP13 (0.47) SMN1; SMN2LMNAGABRG2GABRB3GABRA5
SCHEMBL12804182 0.77 NR1H2 (0.48) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL13291523 0.74 CA12 (0.44) NR1H2GABRG2GABRB3GABRA5BRD4
SCHEMBL4037148 0.74 CYP2A6 (0.38) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL10117813 0.71 NR1H2 (0.41) NR1H2GABRG2GABRB3GABRA5BRD4
SCHEMBL3033078 0.71 CDK1 (0.42) TP53SMN1; SMN2HSD17B10LMNANR1H2

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 TP53 909/4885SMN1; SMN2 3196/4885HSD17B10 761/4885

“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.