SCHEMBL2835133

SCHEMBL2835133

O=S(=O)(c1ccc(Br)cc1)N(CCO)CCO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
GAA P10253 2/20 0.55
NPC1 O15118 1/20 0.55
MMP1 P03956 4/20 0.53
MMP8 P22894 4/20 0.53
MMP13 P45452 4/20 0.53
MMP7 P09237 3/20 0.53
MMP12 P39900 3/20 0.53
VCAM1 P19320 1/20 0.49
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
PLCG1 P19174 1/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
RAB9A P51151 1/20 0.45
CA9 Q16790 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
ABCC2 Q92887 1/20 0.45

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
SCHEMBL2414975 0.81 SIGMAR1 (0.57) SMN1; SMN2MEN1KMT2APLCG1RAB9A
SCHEMBL9185463 0.81 SMN1; SMN2 (0.46) SMN1; SMN2GAANPC1MMP1MMP8
SCHEMBL2932532 0.81 CA9 (0.62) SMN1; SMN2NPC1VCAM1MEN1HTT
SCHEMBL6676536 0.81 SMN1; SMN2 (0.68) SMN1; SMN2GAANPC1MMP1MMP8
SCHEMBL6257441 0.81 SMN1; SMN2 (0.68) SMN1; SMN2GAANPC1MMP1MMP8
SCHEMBL218536 0.81 SMN1; SMN2 (0.68) SMN1; SMN2GAANPC1MMP1MMP8
SCHEMBL8157313 0.81 SMN1; SMN2 (0.68) SMN1; SMN2GAANPC1MMP1MMP8
SCHEMBL3622125 0.80 SMN1; SMN2 (0.67) SMN1; SMN2GAANPC1MMP1MMP8
SCHEMBL15177296 0.79 SMN1; SMN2 (0.66) SMN1; SMN2GAANPC1MMP1MMP8
SCHEMBL8192690 0.79 SMN1; SMN2 (0.66) SMN1; SMN2GAANPC1MMP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3149109-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
WO-2015180819-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2015-12-03 WO disclosed
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2010-08-26 US disclosed
US-7709488-B2 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2010-05-04 US disclosed
EP-1670796-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-06-25 EP disclosed
US-20080021039-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG 2008-01-24 US disclosed
US-7279488-B2 Imidazopyridine-derivatives as inducible no-synthase inhibitors NYCOMED GMBH (DE) 2007-10-09 US disclosed
US-20060293302-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-12-28 US disclosed
EP-1670796-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2006-06-21 EP disclosed
WO-2005030770-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 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 (3 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-20060293302-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 SMN1; SMN2 4215/4885GAA 3086/4885NPC1 3800/4885
US-20080021039-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 SMN1; SMN2 4215/4885GAA 3086/4885NPC1 3800/4885
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 SMN1; SMN2 4215/4885GAA 3086/4885NPC1 3800/4885

“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.