SCHEMBL851009

SCHEMBL851009

CCOC(=N)c1cccc(COc2ccc(C(=O)N3CCC(CCN)CC3)c(OCc3cccc(C(=N)OCC)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 3/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ST14 Q9Y5Y6 8/20 0.44
F10 P00742 7/20 0.44
F2 P00734 4/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
PLG P00747 3/20 0.44
PLAU P00749 3/20 0.44
PDE3B Q13370 5/20 0.44
PDE3A Q14432 5/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL852007 0.91 ST14 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL851881 0.90 ST14 (0.54) ST14F10F2PRSS1PRSS2
SCHEMBL851276 0.88 ST14 (0.54) NPC1RAB9ASMN1; SMN2TP53RECQL
SCHEMBL851299 0.84 ST14 (0.62) NPC1RAB9ASMN1; SMN2TP53RECQL
SCHEMBL852132 0.81 PRSS1 (0.62) ST14F10F2PRSS1PRSS2
SCHEMBL851319 0.79 PRSS1 (0.58) NPC1RAB9ASMN1; SMN2TP53RECQL
SCHEMBL852003 0.77 PRSS1 (0.66) NPC1RAB9ASMN1; SMN2TP53RECQL
SCHEMBL851461 0.77 ST14 (0.66) NPC1RAB9ASMN1; SMN2TP53RECQL
SCHEMBL850958 0.75 ST14 (0.60) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL850868 0.73 ST14 (0.78) ST14F10F2PRSS1PRSS2

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 1915/4885SMN1; SMN2 2076/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 NPC1 809/4885RAB9A 1915/4885SMN1; SMN2 2076/4885

“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.