SCHEMBL430981

SCHEMBL430981

COc1cc(-c2nc(C)no2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 3/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 1/20 0.51
S1PR1 P21453 8/20 0.51
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51
MAPT P10636 2/20 0.50
CHEK1 O14757 1/20 0.49
S1PR3 Q99500 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL10094724 0.87 HTT (0.66) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10
SCHEMBL23996996 0.86 S1PR1 (0.68) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10
SCHEMBL31506704 0.84 ACHE (0.52) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10
SCHEMBL22324200 0.84 ACHE (0.52) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10
SCHEMBL21938893 0.83 ACHE (0.67) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10
SCHEMBL23997094 0.81 ACHE (0.48) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10
SCHEMBL6498095 0.80 ACHE (0.56) SMN1; SMN2NPC1RAB9AS1PR1ACHE
SCHEMBL431219 0.80 S1PR1 (0.51) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10
SCHEMBL4039087 0.78 ACHE (0.53) SMN1; SMN2NPC1RAB9AS1PR1ACHE
SCHEMBL6936347 0.78 HTT (0.50) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10

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-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
EP-2378879-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
WO-2010071741-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-06-24 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-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP SMN1; SMN2 2221/4885NPC1 162/4885RAB9A 2986/4885

“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.