SCHEMBL964772

SCHEMBL964772

COc1cc(NC(N)=S)ccc1-n1cnc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 5/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
AAK1 Q2M2I8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
QPCT Q16769 2/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPKAPK2 P49137 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CHKA P35790 1/20 0.38
CHKB Q9Y259 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
SCHEMBL960711 0.87 PSEN1 (0.44) MAPTALDH1A1GAAAAK1SMN1; SMN2
SCHEMBL964415 0.81 MAPT (0.39) MAPTALDH1A1KMT2AMEN1AAK1
SCHEMBL961599 0.79 PSEN1 (0.46) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL513948 0.77 NR4A1 (0.49) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL962517 0.75 PSEN1 (0.57) QPCT
SCHEMBL1038335 0.74 AAK1 (0.61) MAPTALDH1A1GAAKMT2AAAK1
SCHEMBL5038742 0.73 ALDH1A1 (0.56) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL1887021 0.73 MAPT (0.67) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL964272 0.72 NOS3 (0.42)
SCHEMBL12918138 0.72 NOS3 (0.42)

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 MAPT 15/4885ALDH1A1 1819/4885GAA 127/4885

“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.