SCHEMBL4396865

SCHEMBL4396865

CCC(=O)NC[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 1/20 0.35
CYP2C9 P11712 2/20 0.34
RECQL P46063 1/20 0.32
PSMB5 P28074 1/20 0.32
TP53 P04637 1/20 0.32
FFAR3 O14843 1/20 0.32
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
CCR6 P51684 1/20 0.31
MCL1 Q07820 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL14518492 0.78 MEN1 (0.44) MEN1KMT2AKDM4ECYP2C9RECQL
SCHEMBL5090036 0.73 MEN1 (0.70) MEN1KMT2AALDH1A1RECQLMTNR1A
SCHEMBL28213092 0.73 KMT2A (0.44) MEN1KMT2ARECQLMTNR1AMTNR1B
SCHEMBL14441639 0.72
SCHEMBL11133870 0.72
SCHEMBL13930297 0.72 ALDH1A1 (0.45) KMT2AALDH1A1MCL1MTNR1AMTNR1B
SCHEMBL28148716 0.72 MEN1 (0.43) MEN1KMT2ATDP1ALDH1A1CYP2C9
SCHEMBL5087518 0.72 MEN1 (0.74) MEN1KMT2AALDH1A1KDM4ERECQL
SCHEMBL11841402 0.71 MEN1 (0.60) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL95875 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802539-B1 TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-20 EP disclosed
EP-4061814-A1 TRIAZATRICYCLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2022-09-28 EP disclosed
EP-3802539-A1 TETRAHYDRO-1 H-PYRAZINO[2,1 -AJISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-14 EP disclosed
WO-2019233941-A1 TETRAHYDRO-1 H-PYRAZINO[2,1 -AJISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-12 WO disclosed
US-20090306015-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS SILAMED, INC. (US) 2009-12-10 US disclosed
EP-1968609-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS RND Pharmaceuticals, Inc. (US) 2008-09-17 EP disclosed
WO-2007073560-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS RND PHARMACEUTICALS, INC. (US) 2007-06-28 WO 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-20090306015-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS SI, SCLY, SGMS1 MEN1 857/4885KMT2A 2770/4885TDP1 3545/4885

“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.