SCHEMBL102576

SCHEMBL102576

C#CCCc1nc2c(F)cccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.49
GAA P10253 7/20 0.47
RAB9A P51151 6/20 0.47
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 4/20 0.47
LMNA P02545 4/20 0.47
PRNP P04156 1/20 0.47
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
AKR1B1 P15121 2/20 0.40

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
SCHEMBL102627 0.83 LMNA (0.50) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL103829 0.82 ALDH1A1 (0.49) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL1927918 0.81 SMN1; SMN2 (0.59) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL7216455 0.77 SMN1; SMN2 (0.58) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL101447 0.76 GRM5 (0.46) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL395785 0.76 AKR1A1 (0.40) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL7218454 0.76 SMN1; SMN2 (0.56) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL28478793 0.76 SMN1; SMN2 (0.56) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL21954228 0.76 SMN1; SMN2 (0.61) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL24331734 0.75 AKR1B1 (0.52) SMN1; SMN2GAARAB9AALDH1A1NPC1

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 SMN1; SMN2 881/4885GAA 2330/4885RAB9A 1458/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 SMN1; SMN2 1094/4885GAA 2249/4885RAB9A 1309/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 SMN1; SMN2 881/4885GAA 2330/4885RAB9A 1458/4885

“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.