SCHEMBL961464

SCHEMBL961464

COc1cc(NC(N)=S)ccc1-c1cc(C)no1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 6/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
AAK1 Q2M2I8 3/20 0.42
IMPDH2 P12268 3/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
IMPDH1 P20839 1/20 0.41
KLK7 P49862 1/20 0.41

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
SCHEMBL960534 0.81 PSEN1 (0.46) KMT2AMEN1MAPTHSD17B10KDM4E
SCHEMBL961212 0.81 KMT2A (0.46) KMT2AMEN1MAPTHSD17B10KDM4E
SCHEMBL1616816 0.78 AAK1 (0.68) AAK1IMPDH2IMPDH1
SCHEMBL963294 0.76 IMPDH2 (0.56) KMT2AMEN1MAPTHSD17B10KDM4E
SCHEMBL961604 0.75 AAK1 (0.46) KMT2AMEN1MAPTKDM4EAAK1
SCHEMBL1887021 0.74 MAPT (0.67) KMT2AMEN1MAPTKDM4EIMPDH2
SCHEMBL1616770 0.74 PSEN1 (0.47) KMT2AMEN1MAPTKDM4EAAK1
SCHEMBL1616975 0.74 PSEN1 (0.48) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL29514133 0.72 MAPT (0.51) KMT2AMEN1MAPTKDM4E
SCHEMBL965802 0.72 MAPT (0.51) KMT2AMEN1MAPTKDM4E

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 KMT2A 4488/4885MEN1 3498/4885MAPT 15/4885

“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.