SCHEMBL14059233

SCHEMBL14059233

COC(=O)C1=C(C)c2cc(NC(=O)c3ccc(Cl)cn3)ccc2CCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
BACE1 P56817 16/20 0.45
BACE2 Q9Y5Z0 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44
APP P05067 3/20 0.43

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
SCHEMBL14059199 0.89 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL14957803 0.89 NPC1 (0.51) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL14059153 0.83 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL14059097 0.83 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL14060001 0.78 NPC1 (0.53) SMN1; SMN2RAB9ANPC1TP53MAPT
Hydrochloric Acid SCHEMBL14059177 0.77 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL14059228 0.72 SLC6A3 (0.40) RAB9ANPC1
SCHEMBL14059627 0.72 GAA (0.41) RAB9ANPC1
SCHEMBL14957999 0.71 BACE1 (0.45) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL14958228 0.71 BACE1 (0.45) SMN1; SMN2RAB9ANPC1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604024-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-05-23 US disclosed
WO-2012162330-A1 TRICYCLIC COMPOUNDS AS INHIBITORS FOR THE PRODUCTION OF BETA-AMYLOID BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 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-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, SCN2B SMN1; SMN2 796/4885RAB9A 4510/4885NPC1 413/4885

“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.