SCHEMBL1201006

SCHEMBL1201006

COc1cccc(CN2CCc3n[c]sc3C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.51
PTPN1 P18031 1/20 0.50
TMEM97 Q5BJF2 2/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
CHRM3 P20309 1/20 0.48
DRD4 P21917 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL1202334 0.86 SIGMAR1 (0.49) SIGMAR1KDM4EALDH1A1MAPTDRD4
SCHEMBL1201616 0.83 RAB9A (0.49) SIGMAR1KDM4EALDH1A1MAPTGAA
SCHEMBL1202613 0.81 KDM4E (0.57) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL1202487 0.77 MEN1 (0.46) KDM4EALDH1A1CHRM2CHRM3KMT2A
SCHEMBL11626095 0.76 KDM4E (0.56) SIGMAR1KDM4EALDH1A1MAPTPTPN1
SCHEMBL1201589 0.76 CYP17A1 (0.50) ALDH1A1PTPN1GAADRD2KCNH2
SCHEMBL1200980 0.76 MAPT (0.43) KDM4EALDH1A1MAPTHTR1AGAA
SCHEMBL1201275 0.75 SIGMAR1 (0.44) SIGMAR1KDM4EALDH1A1MAPTGAA
SCHEMBL1202647 0.74 HSP90AB1 (0.44) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL667489 0.74 SIGMAR1 (0.62) SIGMAR1KDM4EALDH1A1MAPTTMEM97

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
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP SIGMAR1 4621/4885KDM4E 3510/4885ALDH1A1 1717/4885

“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.