SCHEMBL14059246

SCHEMBL14059246

N=C(N)SCC1=Cc2cc(Br)ccc2CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NOS1 P29475 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ALDH3A1 P30838 2/20 0.36
SLC11A2 P49281 1/20 0.36
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
ATP1A3 P13637 1/20 0.35
ATP1B2 P14415 1/20 0.35
ATP1A2 P50993 1/20 0.35

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
Hydrochloric Acid SCHEMBL14059987 0.99 IDO1 (0.44) IDO1SMN1; SMN2LMNARAB9AKMT2A
SCHEMBL14059731 0.77 PNMT (0.33) ALOX5
SCHEMBL14059114 0.76 NOS1 (0.44) IDO1NOS1SLC11A2NOS3NOS2
SCHEMBL14058981 0.74 PNMT (0.32) ALOX5
SCHEMBL14059491 0.72 SMN1; SMN2 (0.43) IDO1SMN1; SMN2LMNARAB9AKMT2A
SCHEMBL22275840 0.69 SMN1; SMN2 (0.61) IDO1SMN1; SMN2LMNARAB9AKMT2A
Bromide SCHEMBL22263116 0.67 IDO1 (0.62) IDO1SMN1; SMN2LMNARAB9AKMT2A
SCHEMBL14059113 0.66 IDO1 (0.45) IDO1SMN1; SMN2LMNARAB9AKMT2A
SCHEMBL3774270 0.64 IDO1 (0.59) IDO1SMN1; SMN2LMNARAB9AKMT2A
SCHEMBL3779731 0.64 IDO1 (1.00) IDO1NOS1SLC11A2NOS3NOS2

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 IDO1 3645/4885SMN1; SMN2 796/4885LMNA 213/4885

“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.