SCHEMBL102445

SCHEMBL102445

C#CCCc1nc(-c2cccc(C)c2)no1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.66
NPC1 O15118 7/20 0.66
TDP1 Q9NUW8 6/20 0.66
MAPK1 P28482 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
SMN1; SMN2 Q16637 6/20 0.60
KMT2A Q03164 3/20 0.60
TSHR P16473 2/20 0.60
MEN1 O00255 1/20 0.60
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
HTT P42858 1/20 0.55
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.52
POLB P06746 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
GLA P06280 1/20 0.51
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL102648 0.84 TP53 (0.47) RAB9ANPC1TDP1MAPK1L3MBTL1
SCHEMBL104316 0.84 GRM5 (0.53) RAB9ANPC1TDP1MAPK1L3MBTL1
SCHEMBL103242 0.83 MAPT (0.58) RAB9ANPC1TDP1MAPK1SMN1; SMN2
SCHEMBL102679 0.83 TDP1 (0.58) RAB9ANPC1TDP1MAPK1L3MBTL1
SCHEMBL3932295 0.82 RAB9A (0.71) RAB9ANPC1TDP1MAPK1L3MBTL1
SCHEMBL21974272 0.81 RAB9A (0.69) RAB9ANPC1TDP1MAPK1L3MBTL1
SCHEMBL102950 0.80 NPC1 (0.41) RAB9ANPC1TDP1MAPK1L3MBTL1
SCHEMBL12866 0.80 RAB9A (0.69) RAB9ANPC1TDP1MAPK1L3MBTL1
SCHEMBL101955 0.80 CYP1A2 (0.49) RAB9ANPC1TDP1MAPK1L3MBTL1
SCHEMBL96695 0.79 RAB9A (0.68) RAB9ANPC1TDP1MAPK1L3MBTL1

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
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

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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 RAB9A 1458/4885NPC1 949/4885TDP1 2938/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 RAB9A 1309/4885NPC1 817/4885TDP1 3469/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 RAB9A 1458/4885NPC1 949/4885TDP1 2938/4885

“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.