SCHEMBL5372789

SCHEMBL5372789

Cc1cc(N([Si](C)(C)C)[Si](C)(C)C)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HAO1 Q9UJM8 1/20 0.33
S100B P04271 1/20 0.33
MAPT P10636 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CYP2D6 P10635 1/20 0.32
S1PR1 P21453 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL20313041 0.83 S1PR1 (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL1883344 0.76 MAPT (0.47) ALDH1A1MEN1KMT2AS100BMAPT
SCHEMBL15714521 0.71 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AL3MBTL1
SCHEMBL21233548 0.71 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AL3MBTL1
SCHEMBL12156934 0.71 S100B (0.37) ALDH1A1MEN1LMNAKMT2AL3MBTL1
SCHEMBL19075248 0.71 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AL3MBTL1
SCHEMBL28523030 0.71 S1PR1 (0.37) ALDH1A1MEN1LMNAKMT2AL3MBTL1
SCHEMBL15477495 0.71 S100B (0.42) ALDH1A1MEN1LMNAKMT2AL3MBTL1
SCHEMBL18556032 0.71 RAB9A (0.43) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL381321 0.70 CYP2A6 (0.42) ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196219-B2 Preparation of Anilineboronic acids and derivatives thereof ARCHIMICA GMBH (DE) 2007-03-27 US disclosed
EP-1479686-B1 Process for the preparation of aniline boronic acids and derivatives thereof ARCHIMICA GMBH (DE) 2006-10-04 EP disclosed
US-20050038287-A1 Preparation of Anilineboronic acids and derivatives thereof CLARIANT GMBH 2005-02-17 US disclosed
EP-1479686-A1 Process for the preparation of aniline boronic acids and derivatives thereof Clariant GmbH (DE) 2004-11-24 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 (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-20050038287-A1 Preparation of Anilineboronic acids and derivatives thereof C9, BLVRB, CBR3 ALDH1A1 262/4885MEN1 1134/4885LMNA 214/4885

“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.