SCHEMBL13449293

SCHEMBL13449293

CC(C)COC(=O)Nc1cccc(Cc2nn(-c3cccc(Br)c3)ccc2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.41
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MET P08581 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PTGER1 P34995 1/20 0.34
BCL2 P10415 1/20 0.34
BECN1 Q14457 1/20 0.34

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
SCHEMBL13449292 0.92 LMNA (0.42) PARP1LMNATSHRHTTMAPK1
SCHEMBL13449277 0.90 PARP1 (0.51) PARP1LMNAHTTMAPK1SMN1; SMN2
SCHEMBL13449276 0.89 HPGD (0.43) PARP1LMNASMN1; SMN2ALDH1A1MET
SCHEMBL13274785 0.87 LMNA (0.41) PARP1LMNATSHRHTTMAPK1
SCHEMBL12516614 0.87 MET (0.44) PARP1LMNATSHRHTTMAPK1
SCHEMBL12518117 0.86 PARP1 (0.39) PARP1LMNATSHRHTTMAPK1
SCHEMBL13449274 0.86 PARP1 (0.41) PARP1LMNATSHRHTTMAPK1
SCHEMBL13465840 0.85 PARP1 (0.42) PARP1LMNATSHRHTTMAPK1
SCHEMBL12516452 0.84 LMNA (0.40) PARP1LMNATSHRHTTMAPK1
SCHEMBL13449288 0.84 PARP1 (0.40) PARP1LMNATSHRHTTMAPK1

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-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 PARP1 2307/4885LMNA 4501/4885TSHR 1264/4885

“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.