SCHEMBL6358482

SCHEMBL6358482

CCCNC(=O)c1cccn1C

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.68
NPC1 O15118 5/20 0.68
KMT2A Q03164 1/20 0.56
HDAC6 Q9UBN7 4/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL5657254 0.90 NPC1 (0.64) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL5655626 0.89 NPC1 (0.62) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL11717595 0.86 RAB9A (0.68) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL9394326 0.86 RAB9A (0.62) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL11722775 0.85 RAB9A (0.66) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL32689125 0.83 RAB9A (0.64) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL6988127 0.83 RAB9A (0.68) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL9282547 0.83 RAB9A (0.59) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL30374974 0.82 NPC1 (0.62) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL28451622 0.81 RAB9A (0.61) RAB9ANPC1KMT2AHDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (6 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 RAB9A 703/4885NPC1 2654/4885KMT2A 2755/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 RAB9A 2065/4885NPC1 1129/4885KMT2A 3391/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR RAB9A 2568/4885NPC1 2181/4885KMT2A 2894/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 RAB9A 2326/4885NPC1 2863/4885KMT2A 811/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 RAB9A 703/4885NPC1 2654/4885KMT2A 2755/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET RAB9A 2424/4885NPC1 3563/4885KMT2A 2353/4885

“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.