SCHEMBL3591885

SCHEMBL3591885

C[SiH](C)OCC(c1csc(N)n1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
NOS1 P29475 1/20 0.33
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL3602183 0.74 SMN1; SMN2 (0.36) BACE1SMN1; SMN2NOS1NPC1RAB9A
SCHEMBL3591884 0.65 SMN1; SMN2 (0.36) BACE1SMN1; SMN2NOS1NPC1RAB9A
SCHEMBL12862676 0.64 SMN1; SMN2 (0.46) BACE1SMN1; SMN2NOS1NPC1RAB9A
SCHEMBL190635 0.64
Bromide SCHEMBL5908220 0.62 SMN1; SMN2 (0.48) BACE1SMN1; SMN2NOS1NPC1RAB9A
SCHEMBL10988006 0.62 SMN1; SMN2 (0.43) BACE1SMN1; SMN2NOS1NPC1RAB9A
SCHEMBL4295655 0.62 SMN1; SMN2 (0.43) BACE1SMN1; SMN2NOS1NPC1RAB9A
SCHEMBL965758 0.61
SCHEMBL13609549 0.61 ALDH1A1 (0.44) BACE1SMN1; SMN2NOS1NPC1RAB9A
SCHEMBL9601297 0.60 SMN1; SMN2 (0.42) BACE1SMN1; SMN2NOS1NPC1RAB9A

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 BACE1 1804/4885SMN1; SMN2 4432/4885NOS1 1424/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 BACE1 1809/4885SMN1; SMN2 4329/4885NOS1 3130/4885

“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.