SCHEMBL12756972

SCHEMBL12756972

CO/N=C/c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.62
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
RELA Q04206 1/20 0.50
SRC P12931 1/20 0.50
MAPT P10636 3/20 0.49
CYP1A2 P05177 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 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
SCHEMBL28605730 0.82 CHRM5 (0.64) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10567381 0.79 SRC (0.47) CHRM5SRCSMN1; SMN2GAAALDH1A1
SCHEMBL10567387 0.79 SRC (0.47) CHRM5SRCSMN1; SMN2GAAALDH1A1
SCHEMBL13128175 0.79 SRC (0.47) CHRM5SRCSMN1; SMN2GAAALDH1A1
SCHEMBL12756964 0.78 NPC1 (0.64) CHRM5RELASRCMAPTCYP1A2
SCHEMBL1613845 0.78 CHRM5 (0.69) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11749513 0.77 CHRM5 (1.00) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6076991 0.77 NPC1 (0.62) CHRM5RELASRCCYP1A2KMT2A
Water SCHEMBL10929175 0.77 SRC (0.59) CHRM5SRCMAPTKMT2AMEN1
SCHEMBL2281126 0.77 SRC (0.50) CHRM5SRCMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-8378102-B2 Oxime and hydroxylamine substituted thiazolo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 US disclosed
US-8378102-B2 Oxime and hydroxylamine substituted thiazolo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 US disclosed
US-7897767-B2 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-7897767-B2 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-20100240693-A1 Oxime and Hydroxylamine Substituted Thiazolo [4,5-C] Ring Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC (US) 2010-09-23 US disclosed
US-20100240693-A1 Oxime and Hydroxylamine Substituted Thiazolo [4,5-C] Ring Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC (US) 2010-09-23 US disclosed
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. 2009-02-12 US disclosed
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. 2009-02-12 US disclosed
WO-2007120121-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED THIAZOLO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-25 WO disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 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 (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-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES IFNG, IL2, IRF3 CHRM5 893/4885GRIN2D 3376/4885GRIN3B 1824/4885
US-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 CHRM5 1474/4885GRIN2D 4228/4885GRIN3B 2600/4885
US-20100240693-A1 Oxime and Hydroxylamine Substituted Thiazolo [4,5-C] Ring Compounds and Methods IL4, IL2, TH CHRM5 790/4885GRIN2D 2757/4885GRIN3B 2011/4885

“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.