SCHEMBL101858

SCHEMBL101858

Cc1ccc(F)cc1C(N)=NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GFER P55789 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 4/20 0.39
SLC9A1 P19634 2/20 0.36
KEAP1 Q14145 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HTR7 P34969 1/20 0.34
MPO P05164 2/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL101857 1.00 LMNA (0.40) LMNAKMT2AL3MBTL1GFERNPC1
SCHEMBL101119 0.80 CYP2D6 (0.47) LMNAKMT2AL3MBTL1GFERNPC1
SCHEMBL642418 0.80 CES2 (0.52) LMNAL3MBTL1GAAKEAP1NOS3
SCHEMBL642417 0.80 CES2 (0.52) LMNAL3MBTL1GAAKEAP1NOS3
SCHEMBL101118 0.80 CYP2D6 (0.47) LMNAKMT2AL3MBTL1GFERNPC1
SCHEMBL31187225 0.80 CYP2D6 (0.47) LMNAKMT2AL3MBTL1GFERNPC1
SCHEMBL31748462 0.78 GAA (0.43) LMNAKMT2AL3MBTL1GFERNPC1
SCHEMBL24039067 0.78 GRIN2D (0.38) LMNAKMT2ANPC1POLBRAB9A
SCHEMBL103641 0.77 LMNA (0.47) LMNAKMT2AL3MBTL1GFERNPC1
SCHEMBL103642 0.77 LMNA (0.47) LMNAKMT2AL3MBTL1GFERNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153649-B Allosteric modulators of nicotinic acetylcholine receptors 默沙东公司 2022-04-19 CN disclosed
EP-3433234-B1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-9926285-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2018-03-27 US disclosed
US-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-9840481-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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 (4 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 LMNA 4407/4885KMT2A 2181/4885L3MBTL1 3907/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 LMNA 4715/4885KMT2A 1833/4885L3MBTL1 4070/4885
US-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 LMNA 4726/4885KMT2A 2785/4885L3MBTL1 2334/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 LMNA 4407/4885KMT2A 2181/4885L3MBTL1 3907/4885

“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.