SCHEMBL6921982

SCHEMBL6921982

CO/C=C1/CCc2nc3cc(-c4cccc(F)c4)ccc3c(=O)n2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 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
GOPC Q9HD26 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL12059368 0.87 RAB9A (0.42) L3MBTL1RAB9ANPC1CYP1A2SMN1; SMN2
SCHEMBL2052019 0.86 L3MBTL1 (0.39) L3MBTL1RAB9ANPC1APOBEC3AAPOBEC3G
SCHEMBL2052018 0.86 L3MBTL1 (0.39) L3MBTL1RAB9ANPC1APOBEC3AAPOBEC3G
SCHEMBL2052017 0.86 L3MBTL1 (0.39) L3MBTL1RAB9ANPC1APOBEC3AAPOBEC3G
SCHEMBL6921583 0.83 RAB9A (0.43) L3MBTL1RAB9ANPC1CYP1A2SMN1; SMN2
SCHEMBL12059077 0.81 RAB9A (0.42) L3MBTL1RAB9ANPC1CYP1A2SMN1; SMN2
SCHEMBL6923330 0.81 KDM4E (0.58) L3MBTL1RAB9ANPC1CYP1A2SMN1; SMN2
SCHEMBL6921643 0.80 MEN1 (0.57) L3MBTL1RAB9ANPC1CYP1A2SMN1; SMN2
SCHEMBL12058968 0.79 LMNA (0.47) L3MBTL1RAB9ANPC1CYP1A2SMN1; SMN2
SCHEMBL12059776 0.79 RAB9A (0.40) L3MBTL1RAB9ANPC1APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 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 (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 3622/4885RAB9A 1387/4885NPC1 811/4885

“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.