SCHEMBL16642018

SCHEMBL16642018

Cc1ccc2c(c1)/C(=N/[S+]([O-])C(C)(C)C)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
CYP19A1 P11511 4/20 0.35
CYP11B2 P19099 2/20 0.35
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DUSP10 Q9Y6W6 1/20 0.32
TYMS P04818 1/20 0.32
METAP1 P53582 1/20 0.31
ACHE P22303 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL15945567 1.00 GPR3 (0.39) GPR3PARP1PARP10CYP19A1CYP11B2
SCHEMBL26890545 0.91 ALDH1A1 (0.38) GPR3PARP1PARP10CYP19A1CYP11B2
SCHEMBL26962454 0.84 GPR3 (0.38) GPR3PARP1PARP10TYMSACHE
SCHEMBL29689999 0.84 GPR3 (0.38) GPR3PARP1PARP10TYMSACHE
SCHEMBL29690456 0.84 GPR3 (0.38) GPR3PARP1PARP10TYMSACHE
SCHEMBL14129069 0.84 TDP1 (0.39) GPR3PARP1PARP10TDP1TYMS
SCHEMBL14846082 0.82 PARP1 (0.41) GPR3PARP1PARP10
SCHEMBL14829264 0.82 PARP1 (0.41) GPR3PARP1PARP10
SCHEMBL14829263 0.82 PARP1 (0.41) GPR3PARP1PARP10
SCHEMBL15320910 0.82 PARP1 (0.41) GPR3PARP1PARP10

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-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-04-16 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-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL GPR3 1751/4885PARP1 1090/4885PARP10 1484/4885

“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.