SCHEMBL6922611

SCHEMBL6922611

CC1CCc2nc3cc([Si](C)(C)C)ccc3c(=O)n2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.42
USP2 O75604 2/20 0.42
ALOX15 P16050 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
BCHE P06276 1/20 0.42
CFTR P13569 1/20 0.42
ACHE P22303 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
GOPC Q9HD26 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 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
SCHEMBL6920970 0.84 NPC1 (0.48) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL12059374 0.81 MEN1 (0.63) ALDH1A1SMN1; SMN2KDM4ELMNAHSD17B10
SCHEMBL6922495 0.81 NPC1 (0.53) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL6921508 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL6922418 0.81 NPC1 (0.55) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL12042562 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL6922319 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL6921956 0.80 RAB9A (0.45) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL6921543 0.78 RAB9A (0.43) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL6920741 0.78 RAB9A (0.41) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD

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 ALDH1A1 1721/4885SMN1; SMN2 636/4885KDM4E 2003/4885

“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.