SCHEMBL12299014

SCHEMBL12299014

CC1(NC(=S)NCO)CC(c2cccs2)Oc2ccc(Br)cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BACE1 P56817 7/20 0.30
APP P05067 6/20 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
SCHEMBL12299583 0.89 AKR1B1 (0.37) AKR1B1ALDH1A1MEN1KMT2AMAPT
SCHEMBL12299780 0.71 KMT2A (0.38) AKR1B1ALDH1A1MEN1KMT2AMAPT
SCHEMBL12299271 0.71 AKR1B1 (0.33) AKR1B1BACE1APP
SCHEMBL12299015 0.70 AKR1B1 (0.32) AKR1B1BACE1APP
SCHEMBL1825508 0.67 MAPT (0.34) AKR1B1ALDH1A1MAPK1MAPTKDM4E
SCHEMBL1820451 0.66 AKR1B1 (0.43) AKR1B1MAPT
SCHEMBL2378076 0.64 BACE1 (0.55) BACE1
SCHEMBL2374548 0.63 BACE1 (0.40) ALDH1A1GAAKDM4EBACE1APP
SCHEMBL7948351 0.62 KDM4E (0.34) ALDH1A1MEN1MAPK1KMT2AMAPT
6-Bromo-2-(Thiophen-2-Yl)Chroman-4-One SCHEMBL1824814 0.60 AR (0.58) MAPK1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 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-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP AKR1B1 2656/4885ALDH1A1 2484/4885MEN1 813/4885

“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.