SCHEMBL513787

SCHEMBL513787

C[Si](C)(C)Cn1nnc(-c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.54
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
APOBEC3G Q9HC16 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
XPO1 O14980 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL512955 0.82 LMNA (0.63) RAB9AL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2619292 0.81 SMN1; SMN2 (0.68) RAB9AL3MBTL1ALDH1A1HPGDATM
SCHEMBL4405908 0.78 RAB9A (0.61) RAB9AL3MBTL1ALDH1A1HPGDATM
SCHEMBL23625644 0.77 RAB9A (0.65) RAB9AL3MBTL1ALDH1A1CYP1A2CYP2D6
SCHEMBL4407341 0.76 TRPV1 (0.59) RAB9AL3MBTL1ALDH1A1HPGDATM
SCHEMBL4412228 0.76 RAB9A (0.59) RAB9AL3MBTL1ALDH1A1HPGDATM
SCHEMBL4413466 0.76 RAB9A (1.00) RAB9AL3MBTL1ALDH1A1HPGDATM
SCHEMBL23625631 0.76 RAB9A (0.62) RAB9AL3MBTL1ALDH1A1CYP1A2CYP2D6
SCHEMBL4411938 0.75 RAB9A (0.57) RAB9AL3MBTL1ALDH1A1CYP1A2CYP2D6
SCHEMBL27810679 0.74 RAB9A (0.61) RAB9AL3MBTL1ALDH1A1HPGDATM

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
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 RAB9A 2058/4885L3MBTL1 1294/4885ALDH1A1 2610/4885

“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.