SCHEMBL3773036

SCHEMBL3773036

C=C[Si](C)(C)CCCN(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
SIGMAR1 Q99720 2/20 0.39
SMPD1 P17405 1/20 0.38
KCNH2 Q12809 3/20 0.37
MEN1 O00255 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KCNA3 P22001 2/20 0.33
DHFR P00374 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL3765393 0.89 MTNR1A (0.43) MTNR1AMTNR1BSIGMAR1SMPD1KCNH2
SCHEMBL3772474 0.85 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL3769753 0.84 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL3768094 0.80 MEN1 (0.30) MEN1KMT2ASMN1; SMN2
SCHEMBL3776303 0.80
SCHEMBL18868027 0.79 NPC1 (0.33) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2
SCHEMBL824790 0.79 NPC1 (0.39) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2
SCHEMBL3774485 0.78 HDAC3 (0.41) KCNH2ALDH1A1HTT
SCHEMBL3771301 0.78 MTNR1A (0.43) MTNR1AMTNR1BSIGMAR1SMPD1KCNH2
SCHEMBL3770390 0.78 MTNR1A (0.43) MTNR1AMTNR1BSIGMAR1SMPD1KCNH2

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-8436166-B2 Amino-containing vinylsilane compounds and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-07 US disclosed
US-20100317852-A1 AMINO-CONTAINING VINYLSILANE COMPOUNDS AND MAKING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-12-16 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-20100317852-A1 AMINO-CONTAINING VINYLSILANE COMPOUNDS AND MAKING METHOD BHMT2, GNMT, VASP MTNR1A 4342/4885MTNR1B 4325/4885SIGMAR1 2237/4885

“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.