SCHEMBL9065286

SCHEMBL9065286

CNC(=O)C(=O)NC1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.77
NPC1 O15118 5/20 0.77
RAB9A P51151 5/20 0.77
MAPT P10636 3/20 0.77
MAPK1 P28482 1/20 0.57
DUSP3 P51452 1/20 0.57
PTPN5 P54829 1/20 0.57
PTPN11 Q06124 1/20 0.57
EPHX1 P07099 6/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
EPHX2 P34913 1/20 0.56
POLB P06746 2/20 0.56
HTT P42858 1/20 0.55
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
MMP2 P08253 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47

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
SCHEMBL15255706 0.98 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL15255710 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL23736058 0.88 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL2377367 0.88 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL8165938 0.88 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL3076504 0.88 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL6850969 0.85 SMN1; SMN2 (0.94) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL12812331 0.79 EPHX1 (0.73) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL20469609 0.79 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL221844 0.79 NPC1 (0.73) SMN1; SMN2NPC1RAB9AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-30 US disclosed
US-8536136-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-17 US disclosed
US-5565576-A BIOCIDES FOR WATER TREATMENT LONZA INC. (US) 1996-10-15 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-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 SMN1; SMN2 1613/4885NPC1 247/4885RAB9A 2028/4885

“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.