SCHEMBL851337

SCHEMBL851337

N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)NC3CCCCC3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.71
RAB9A P51151 3/20 0.71
ST14 Q9Y5Y6 7/20 0.68
F2 P00734 5/20 0.68
PRSS1 P07477 4/20 0.68
PRSS2 P07478 4/20 0.68
PRSS3 P35030 4/20 0.68
PLG P00747 2/20 0.68
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
PKM P14618 1/20 0.57
EPHX1 P07099 1/20 0.53
SCN9A Q15858 4/20 0.52
MMP13 P45452 1/20 0.50
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL851898 0.89 NPC1 (0.54) NPC1RAB9AST14F2PRSS1
SCHEMBL851551 0.89 ST14 (0.69) NPC1RAB9AST14F2PRSS1
SCHEMBL850974 0.88 ST14 (0.69) NPC1RAB9AST14F2PRSS1
SCHEMBL7868538 0.83 NPC1 (1.00) NPC1RAB9AMEN1KMT2AEPHX1
SCHEMBL3790701 0.83 NPC1 (0.51) NPC1RAB9AST14F2PRSS1
SCHEMBL851530 0.83 ST14 (0.52) NPC1RAB9AST14F2PRSS1
SCHEMBL28182531 0.82 NPC1 (0.97) NPC1RAB9AKMT2AEPHX1MAPT
SCHEMBL851810 0.82 ST14 (0.56) NPC1RAB9AST14F2PRSS1
SCHEMBL851856 0.82 ST14 (0.73) NPC1RAB9AST14F2PRSS1
SCHEMBL851405 0.81 F2 (0.70) NPC1RAB9AST14F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 NPC1 809/4885RAB9A 1915/4885ST14 216/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 NPC1 809/4885RAB9A 1915/4885ST14 216/4885

“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.