SCHEMBL3931981

SCHEMBL3931981

COC(=O)c1cc(Cl)c(Cl)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.44
ACHE P22303 4/20 0.44
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NQO2 P16083 3/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL16616207 0.87 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL22833822 0.86 GAA (0.46) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL20302447 0.86 ACHE (0.49) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL22833387 0.85 GAA (0.49) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL4738002 0.84 GAA (0.51) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL4737125 0.83 KDM4E (0.56) GAAMAPTL3MBTL1ACHEHPGD
SCHEMBL28000164 0.83 ABL1 (0.50) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL21468664 0.81 MAPT (0.46) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL22677359 0.81 GAA (0.49) NPC1RAB9ASMN1; SMN2GAAHPGD
SCHEMBL4174949 0.81 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009011627-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
US-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO 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 (2 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-20090018166-A1 New Pyridine Analogues X 161 P2RY12, P2RY11, P2RY1 NPC1 3284/4885RAB9A 1749/4885SMN1; SMN2 3485/4885
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 NPC1 3540/4885RAB9A 2469/4885SMN1; SMN2 3460/4885

“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.