SCHEMBL102404

SCHEMBL102404

C(#Cc1ccccn1)CCc1nc(-c2ccc3ccccc3c2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PKM P14618 1/20 0.45
KLF5 Q13887 1/20 0.45
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
S1PR1 P21453 2/20 0.41
NPC1 O15118 7/20 0.40
RAB9A P51151 6/20 0.40
TDP1 Q9NUW8 2/20 0.39
QPCT Q16769 1/20 0.39

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
SCHEMBL4534120 0.87 RAB9A (0.52) SMN1; SMN2ALDH1A1TSHRNPSR1CYP1A2
SCHEMBL101866 0.85 TDP1 (0.53) SMN1; SMN2ALDH1A1MAPTLMNAKDM4E
SCHEMBL101484 0.85 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPTLMNATSHR
SCHEMBL102368 0.85 NPC1 (0.51) SMN1; SMN2ALDH1A1MAPTCYP1A2L3MBTL1
SCHEMBL102805 0.84 L3MBTL1 (0.58) SMN1; SMN2MAPTLMNAKDM4EHSD17B10
SCHEMBL101811 0.84 RAB9A (0.58) SMN1; SMN2ALDH1A1MAPTLMNATP53
SCHEMBL103382 0.84 GRM5 (0.47) SMN1; SMN2MAPTLMNATP53TSHR
SCHEMBL101934 0.84 GRM5 (0.47) SMN1; SMN2ALDH1A1MAPTLMNATP53
SCHEMBL101741 0.84 GRM5 (0.53) SMN1; SMN2MAPTLMNATP53TSHR
SCHEMBL459699 0.82 S1PR1 (0.52) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US claimed
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 SMN1; SMN2 881/4885ALDH1A1 2153/4885MAPT 1113/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 SMN1; SMN2 1094/4885ALDH1A1 2496/4885MAPT 630/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 SMN1; SMN2 881/4885ALDH1A1 2153/4885MAPT 1113/4885

“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.