SCHEMBL3591884

SCHEMBL3591884

CC(O[Si](C)(C)C(C)(C)C)c1csc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
NOS1 P29475 1/20 0.36
BACE1 P56817 1/20 0.35
NPC1 O15118 4/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 4/20 0.31
GFER P55789 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
APLNR P35414 2/20 0.31

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
SCHEMBL21963071 0.82 CA2 (0.33) CA2APLNR
SCHEMBL21963064 0.78
SCHEMBL4295655 0.75 SMN1; SMN2 (0.43) SMN1; SMN2NOS1BACE1NPC1MAPT
SCHEMBL28700038 0.74 SMN1; SMN2 (0.42) SMN1; SMN2NOS1BACE1NPC1MAPT
SCHEMBL4968190 0.73 BACE1 (0.39) SMN1; SMN2NOS1BACE1NPC1MAPT
SCHEMBL190635 0.70
Bromide SCHEMBL5908220 0.69 SMN1; SMN2 (0.48) SMN1; SMN2NOS1BACE1NPC1MAPT
SCHEMBL971986 0.69 CA2 (0.30) CA2
SCHEMBL5415028 0.69 ALDH1A1 (0.43) SMN1; SMN2NOS1BACE1NPC1MAPT
SCHEMBL973117 0.69 CA2 (0.30) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1600442-B1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE MSD KK (JP) 2018-01-17 EP disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP 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 (2 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK SMN1; SMN2 4432/4885NOS1 1424/4885BACE1 1804/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 SMN1; SMN2 4329/4885NOS1 3130/4885BACE1 1809/4885

“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.