SCHEMBL12040972

SCHEMBL12040972

O=c1c2ccc(C#Cc3cccc(F)c3)cc2nc2n1CC/C(=C\O)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 6/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 1/20 0.38
GRM5 P41594 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
BCHE P06276 1/20 0.37
CFTR P13569 1/20 0.37
ALOX15 P16050 1/20 0.37
ACHE P22303 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GOPC Q9HD26 1/20 0.37

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
SCHEMBL2052018 0.88 L3MBTL1 (0.39) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL2052017 0.88 L3MBTL1 (0.39) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL2052019 0.88 L3MBTL1 (0.39) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL2053268 0.87 L3MBTL1 (0.41) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL6921652 0.85 L3MBTL1 (0.40) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL12059368 0.85 RAB9A (0.42) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL6921520 0.84 L3MBTL1 (0.54) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL9994894 0.84 L3MBTL1 (0.41) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL9994896 0.84 L3MBTL1 (0.41) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL6922403 0.84 L3MBTL1 (0.41) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 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 (1 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 L3MBTL1 3622/4885TDP1 1917/4885RAB9A 1387/4885

“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.