SCHEMBL104391

SCHEMBL104391

C#CCCc1nc(-c2ccccc2OC)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
GAA P10253 3/20 0.56
HPGD P15428 3/20 0.56
ALOX15 P16050 2/20 0.56
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
SMN1; SMN2 Q16637 8/20 0.53
RAB9A P51151 5/20 0.53
TP53 P04637 4/20 0.53
NPC1 O15118 4/20 0.53
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 3/20 0.49
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GLA P06280 1/20 0.48

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
SCHEMBL104245 0.85 S1PR1 (0.46) ALDH1A1HSD17B10L3MBTL1GAAHPGD
SCHEMBL102485 0.82 SMN1; SMN2 (0.48) HSD17B10L3MBTL1GAAHPGDSMN1; SMN2
SCHEMBL102064 0.82 LMNA (0.51) ALDH1A1L3MBTL1GAAHPGDALOX15
SCHEMBL101763 0.81 ATM (0.45) ALDH1A1HSD17B10L3MBTL1GAAHPGD
SCHEMBL102362 0.81 ATM (0.60) ALDH1A1HSD17B10L3MBTL1GAAHPGD
SCHEMBL16975847 0.80 SMN1; SMN2 (0.61) ALDH1A1HSD17B10L3MBTL1GAAHPGD
SCHEMBL102794 0.80 AKR1B1 (0.45) ALDH1A1HSD17B10L3MBTL1GAAHPGD
SCHEMBL397640 0.80 TSHR (0.57) ALDH1A1HSD17B10L3MBTL1CASP3SENP8
SCHEMBL6042179 0.79 SMN1; SMN2 (0.60) ALDH1A1HSD17B10L3MBTL1GAAHPGD
SCHEMBL7979609 0.79 SMN1; SMN2 (0.60) ALDH1A1HSD17B10L3MBTL1GAAHPGD

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 9 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
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 (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 ALDH1A1 2153/4885HSD17B10 1829/4885L3MBTL1 3907/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 2496/4885HSD17B10 2127/4885L3MBTL1 4070/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ALDH1A1 2153/4885HSD17B10 1829/4885L3MBTL1 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.