SCHEMBL5485859

SCHEMBL5485859

C[Si](C)(C)CCOCn1cnc(C(=O)NN)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
DGAT1 O75907 3/20 0.32
PNP P00491 3/20 0.32
TSHR P16473 2/20 0.32
HBB P68871 2/20 0.32
USP2 O75604 1/20 0.32
EDNRA P25101 1/20 0.32
HTR2A P28223 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPRT1 P00492 4/20 0.32
KLKB1 P03952 1/20 0.31
MAPK1 P28482 1/20 0.30
PRMT5 O14744 1/20 0.30

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
SCHEMBL5488835 0.86 NPC1 (0.36) NPC1MAPTBRD4CREBBPDGAT1
SCHEMBL5478263 0.81 NOTUM (0.40) NPC1MAPTDGAT1TSHRHSD17B10
SCHEMBL2963054 0.79 NPC1 (0.42) NPC1MAPTDGAT1KLKB1PRMT5
SCHEMBL28966690 0.76 DGAT1 (0.35) NPC1BRD4CREBBPDGAT1PNP
SCHEMBL2965634 0.71 NPC1 (0.39) NPC1MAPTDGAT1RECQLBLM
SCHEMBL24724721 0.69 NPC1 (0.40) NPC1MAPTCREBBPDGAT1HSD17B10
SCHEMBL3521311 0.69 SMN1; SMN2 (0.40) NPC1BRD4CREBBPDGAT1
SCHEMBL24724723 0.69 NPC1 (0.41) NPC1BRD4CREBBPDGAT1KLKB1
SCHEMBL24724722 0.69 NPC1 (0.41) NPC1DGAT1KMT2AKLKB1
SCHEMBL10117725 0.68 ALDH1A1 (0.38) NPC1MAPTBRD4DGAT1TSHR

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-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 NPC1 934/4885MAPT 711/4885BRD4 773/4885

“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.