SCHEMBL961604

SCHEMBL961604

COc1cc(NC(N)=S)ccc1-c1cnnc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.46
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
MAPT P10636 6/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
Iodide SCHEMBL964231 0.80 PSEN1 (0.42) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL16398210 0.77 IMPDH2 (0.48) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL961096 0.77 AAK1 (0.64) AAK1PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL962613 0.76 IMPDH2 (0.47) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL961464 0.75 KMT2A (0.51) AAK1MAPTRAB9AKMT2AKDM4E
SCHEMBL1887021 0.74 MAPT (0.67) MAPTRAB9AALDH1A1GAAKMT2A
SCHEMBL16398589 0.74 GABRG2 (0.43) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1616770 0.74 PSEN1 (0.47) AAK1PSEN1PSEN2APH1BNCSTN
Iodide SCHEMBL3708570 0.73 HTR3E (0.40) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1616816 0.72 AAK1 (0.68) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 AAK1 837/4885PSEN1 6/4885PSEN2 7/4885

“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.