SCHEMBL4155773

SCHEMBL4155773

COc1ccccc1-c1nc(=O)c2c([nH]1)CCCN2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 2/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
BUB1 O43683 1/20 0.35
UCHL1 P09936 2/20 0.35
USP30 Q70CQ3 2/20 0.35
PDK4 Q16654 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC9A1 P19634 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL4143684 0.82 PARP1 (0.43) L3MBTL1PARP1FGFR1FGFR2GRM5
SCHEMBL13851590 0.74 TNKS2 (0.45) PARP1FGFR1FGFR2ALDH1A1GRM5
SCHEMBL4152598 0.72 FGFR1 (0.46) L3MBTL1PARP1FGFR1FGFR2ALDH1A1
SCHEMBL30667675 0.71 PDE4B (0.39) ALDH1A1ALOX15HSD17B10PDE4APDE4B
SCHEMBL31139409 0.71 MEN1 (0.46) L3MBTL1ALDH1A1GAAHSD17B10PDE4A
SCHEMBL4141949 0.71 FGFR1 (0.45) L3MBTL1PARP1FGFR1FGFR2ALDH1A1
SCHEMBL26088831 0.70 NOTUM (0.44) PARP1ALDH1A1GRM5GRM1PIM1
SCHEMBL31139453 0.70 NOTUM (0.44) PARP1ALDH1A1GRM5GRM1PIM1
SCHEMBL4135896 0.70 TP53 (0.43) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL21065142 0.69 TSHR (0.44) L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB L3MBTL1 4809/4885PARP1 3786/4885FGFR1 2632/4885

“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.