SCHEMBL537658

SCHEMBL537658

CC1(C)CC(O)CC(C)(C)N1/N=N/c1ccccc1Br

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.33
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
CYP2D6 P10635 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
SCHEMBL537659 1.00 MEN1 (0.35) MEN1NPC1ALPLALPIALPG
SCHEMBL537707 0.78 ALDH1A1 (0.36) MEN1NPC1RAB9AKMT2AKDM1A
SCHEMBL537708 0.78 ALDH1A1 (0.36) MEN1NPC1RAB9AKMT2AKDM1A
SCHEMBL537626 0.71 RAB9A (0.39) MEN1NPC1RAB9AKMT2A
SCHEMBL537625 0.71 RAB9A (0.39) MEN1NPC1RAB9AKMT2A
SCHEMBL612814 0.66 CYP1B1 (0.51) MEN1NPC1RAB9AKMT2ANOS3
SCHEMBL612813 0.66 CYP1B1 (0.51) MEN1NPC1RAB9AKMT2ANOS3
SCHEMBL6824427 0.64 MEN1 (0.57) MEN1NPC1ALPLALPIALPG
SCHEMBL11692993 0.64 MEN1 (0.57) MEN1NPC1ALPLALPIALPG
SCHEMBL12589187 0.62 ALDH1A1 (0.37) MEN1KMT2AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940806-B2 Polymerizable compositions BASF SE (DE) 2015-01-27 US disclosed
US-8940806-B2 Polymerizable compositions BASF SE (DE) 2015-01-27 US disclosed
US-8940806-B2 Polymerizable compositions BASF SE (DE) 2015-01-27 US disclosed
US-20120041093-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-16 US disclosed
US-20120041093-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-16 US disclosed
US-20120041093-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-16 US disclosed
EP-2414324-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-08 EP disclosed
WO-2010112410-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2010-10-07 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-20120041093-A1 POLYMERIZABLE COMPOSITIONS H1-10, CBR1, NR1H2 MEN1 2343/4885NPC1 2325/4885ALPL 4847/4885

“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.