SCHEMBL15023448

SCHEMBL15023448

O=C(O)Nc1cccc(Cc2nn(-c3cc(F)c(F)c(F)c3)ccc2=S)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
ELOVL1 Q9BW60 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CNR2 P34972 1/20 0.34
PTGER3 P43115 1/20 0.34
HPSE Q9Y251 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
SCHEMBL15022485 0.91 PARP1 (0.44) PARP1NPC1POLBRAB9ALMNA
SCHEMBL15041959 0.89 MET (0.44) PARP1
SCHEMBL13274731 0.89 PARP1 (0.38) PARP1NPC1POLBRAB9ALMNA
SCHEMBL15022973 0.89 MAPT (0.48) PARP1NPC1RAB9ALMNAHPGD
SCHEMBL10171290 0.88 MGLL (0.46) PARP1POLB
SCHEMBL15041960 0.85 HPGD (0.45) PARP1NPC1RAB9ALMNAHPGD
SCHEMBL15022584 0.81 F10 (0.34) PARP1ELOVL1
SCHEMBL12474197 0.81 ENPP2 (0.40) PARP1NPC1POLBRAB9ALMNA
SCHEMBL12474195 0.81 LMNA (0.43) LMNAMAPK1
SCHEMBL13274908 0.81 LMNA (0.38) PARP1NPC1POLBRAB9ALMNA

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-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US claimed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 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-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 PARP1 2443/4885NPC1 4222/4885POLB 1904/4885

“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.