SCHEMBL101740

SCHEMBL101740

C#CCCC(=O)Nc1ccc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
POLB P06746 1/20 0.59
HSD17B10 Q99714 1/20 0.53
TP53 P04637 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 5/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.47
FUCA1 P04066 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL101577 0.85 ALDH1A1 (0.53) RAB9APOLBTP53MEN1KMT2A
SCHEMBL103672 0.81 SMN1; SMN2 (0.62) RAB9APOLBALDH1A1L3MBTL1HTT
SCHEMBL15480431 0.81 POLB (0.66) RAB9APOLBHSD17B10TP53MEN1
SCHEMBL3130610 0.80 RAB9A (0.68) RAB9APOLBHSD17B10TP53MEN1
SCHEMBL102245 0.78 HDAC3 (0.57) RAB9ATP53MEN1KMT2AALDH1A1
SCHEMBL29268504 0.77 RAB9A (0.60) RAB9APOLBHSD17B10TP53MEN1
SCHEMBL6273868 0.77 POLB (0.61) RAB9APOLBHSD17B10TP53MEN1
SCHEMBL3145475 0.77 RAB9A (0.65) RAB9APOLBHSD17B10TP53MEN1
SCHEMBL15480422 0.76 HDAC1 (0.63) RAB9APOLBHSD17B10TP53MEN1
SCHEMBL6267767 0.76 POLB (0.59) RAB9APOLBHSD17B10TP53MEN1

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 RAB9A 1458/4885POLB 4331/4885HSD17B10 1829/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 RAB9A 1309/4885POLB 4543/4885HSD17B10 2127/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 RAB9A 1458/4885POLB 4331/4885HSD17B10 1829/4885

“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.