SCHEMBL830809

SCHEMBL830809

CC(C)[C@@H](C(=O)Nc1ccccc1)N(C)[C@H]1N[C@@H]1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
HSP90AA1 P07900 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
HTT P42858 1/20 0.34
KLK7 P49862 4/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL830917 1.00 MAPT (0.35) MAPTKMT2AGAAHSP90AA1GPR55
SCHEMBL831186 0.86 KMT2A (0.37) MAPTKMT2AGAAHSP90AA1GPR55
SCHEMBL830810 0.78 SMN1; SMN2 (0.37) MAPTKMT2AGAAHSP90AA1GPR55
SCHEMBL830918 0.78 SMN1; SMN2 (0.37) MAPTKMT2AGAAHSP90AA1GPR55
SCHEMBL830811 0.78 SMN1; SMN2 (0.37) MAPTKMT2AGAAHSP90AA1GPR55
SCHEMBL830498 0.75 MAPT (0.44) MAPTKMT2AGAAHSP90AA1GPR55
SCHEMBL831188 0.73 CAPN1 (0.44) MAPTKMT2AKLK7SMN1; SMN2NPC1
SCHEMBL831187 0.73 CAPN1 (0.44) MAPTKMT2AKLK7SMN1; SMN2NPC1
SCHEMBL830003 0.72 MTOR (0.42) MAPTKMT2AGAAHSP90AA1GPR55
SCHEMBL830535 0.68 MEN1 (0.44) MAPTKMT2AGAAHTTMEN1

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-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 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-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION QDPR, VIP, AAAS MAPT 4393/4885KMT2A 2189/4885GAA 509/4885

“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.