SCHEMBL1154350

SCHEMBL1154350

COc1nccc(CN)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.43
LOX P28300 1/20 0.43
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
PDPK1 O15530 1/20 0.37
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
FERMT2 Q96AC1 1/20 0.36
GRIN1 Q05586 7/20 0.35
GRIN2B Q13224 7/20 0.35
FFAR1 O14842 1/20 0.35
RXRA P19793 5/20 0.34
HASPIN Q8TF76 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL5622117 0.83 LOXL2 (0.47) LOXL2LOXGRIN1GRIN2BRXRA
SCHEMBL3404211 0.82 L3MBTL1 (0.38) LOXL2LOXPDPK1FFAR1RAB9A
SCHEMBL18200291 0.82 NOS3 (0.38) LOXL2LOXNOS3NOS1NOS2
SCHEMBL19932063 0.80 NOS3 (0.37) LOXL2LOXNOS3NOS1NOS2
SCHEMBL20893799 0.80 GRIN1 (0.38) NOS3NOS1NOS2PDPK1CCR1
SCHEMBL16815694 0.80 CCR1 (0.39) NOS3NOS1NOS2PDPK1CCR1
SCHEMBL29763523 0.80 GRIN1 (0.38) LOXL2LOXNOS3NOS1NOS2
SCHEMBL22905296 0.77 FFAR1 (0.36) LOXL2LOXNOS3NOS1NOS2
SCHEMBL21567109 0.77 GRIN1 (0.36) NOS3NOS1NOS2PDPK1CCR1
SCHEMBL25202584 0.76 GRIN1 (0.38) LOXL2GRIN1GRIN2BRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102007115-A Pyrimidylmethyl sulfonamide compounds BASF SE 2011-04-06 CN disclosed
US-20110077153-A1 Substituted Heteroarylmethyl Sulfonamides BASF SE (DE) 2011-03-31 US disclosed
US-20110039693-A1 Pyrimidylmethyl Sulfonamide Compounds BASF SE (DE) 2011-02-17 US disclosed
EP-2252606-A1 PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS BASF SE (DE) 2010-11-24 EP disclosed
WO-2009141291-A1 SUBSTITUTED HETEROARYLMETHYL SULFONAMIDES BASF SE (DE) 2009-11-26 WO disclosed
WO-2009101078-A1 PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-08-20 WO disclosed
WO-2009101079-A1 PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-08-20 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-20110039693-A1 Pyrimidylmethyl Sulfonamide Compounds TPMT, NQO2, TST LOXL2 2635/4885LOX 1117/4885NOS3 167/4885
US-20110077153-A1 Substituted Heteroarylmethyl Sulfonamides ARSA, STS, CCNY LOXL2 3143/4885LOX 2311/4885NOS3 195/4885

“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.