SCHEMBL831186

SCHEMBL831186

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
CAPN1 P07384 2/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
CIT O14578 1/20 0.35
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KLK7 P49862 1/20 0.33
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
HIF1A Q16665 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
SCHEMBL830809 0.86 MAPT (0.35) KMT2AMAPTCAPN1PKMSMN1; SMN2
SCHEMBL830917 0.86 MAPT (0.35) KMT2AMAPTCAPN1PKMSMN1; SMN2
SCHEMBL831187 0.78 CAPN1 (0.44) KMT2AMAPTCAPN1MAPK1ATM
SCHEMBL831188 0.78 CAPN1 (0.44) KMT2AMAPTCAPN1MAPK1ATM
SCHEMBL830918 0.74 SMN1; SMN2 (0.37) KMT2AMAPTCAPN1SMN1; SMN2LMNA
SCHEMBL830810 0.74 SMN1; SMN2 (0.37) KMT2AMAPTCAPN1SMN1; SMN2LMNA
SCHEMBL830811 0.74 SMN1; SMN2 (0.37) KMT2AMAPTCAPN1SMN1; SMN2LMNA
SCHEMBL30807693 0.68 AAK1 (0.60) KMT2AMAPTCAPN1MAPK1ATM
SCHEMBL27153076 0.68 MEN1 (0.48) KMT2AMAPTCAPN1ATMSMN1; SMN2
SCHEMBL27153075 0.68 MEN1 (0.48) KMT2AMAPTCAPN1ATMSMN1; SMN2

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 KMT2A 2189/4885MAPT 4393/4885CAPN1 4289/4885

“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.