SCHEMBL1425950

SCHEMBL1425950

CCOC(=O)N1CC(=O)c2ccsc2CC1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.38
KMT2A Q03164 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
BRD4 O60885 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL12539249 0.76 PRMT5 (0.38) KMT2ANOS3NOS1NOS2BRD4
SCHEMBL4751608 0.76 MAPT (0.44) KMT2ANOS3NOS1NOS2BRD4
SCHEMBL985894 0.73 NOS3 (0.44) KMT2ANOS3NOS1NOS2BRD4
SCHEMBL6994471 0.72 ALDH1A1 (0.53) HTR2CKMT2AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL1425864 0.70 KDM4E (0.46) KMT2ANOS3NOS1NOS2HSD17B10
SCHEMBL16663984 0.69 HTR2C (0.48) HTR2CKMT2ANOS3NOS2L3MBTL1
SCHEMBL1181745 0.68 DRD1 (0.37) HTR2CKMT2ANOS3NOS1NOS2
SCHEMBL1181747 0.68 DRD1 (0.37) HTR2CKMT2ANOS3NOS1NOS2
SCHEMBL1181750 0.68 DRD1 (0.37) HTR2CKMT2ANOS3NOS1NOS2
SCHEMBL4440748 0.68 NOS3 (0.35) HTR2CKMT2ANOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481524-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-8481524-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-8481524-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
EP-2205589-B1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-03-23 EP disclosed
EP-2205589-B1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-03-23 EP disclosed
WO-2009045992-A2 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-09 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 (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-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 HTR2C 2488/4885KMT2A 967/4885NOS3 2062/4885

“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.