SCHEMBL2486624

SCHEMBL2486624

Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cn3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
HTT P42858 3/20 0.62
OPRK1 P41145 1/20 0.62
DYRK1A Q13627 2/20 0.60
MMP13 P45452 1/20 0.59
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
PTPN1 P18031 1/20 0.57
MCL1 Q07820 1/20 0.57
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SCD O00767 1/20 0.56
NOD2 Q9HC29 1/20 0.56

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
SCHEMBL2481533 0.86 SCD (0.76) MAPTNPC1RAB9AHTTDYRK1A
SCHEMBL13329540 0.86 NPC1 (0.73) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL2485574 0.86 MAPT (0.67) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL23926470 0.85 MAPT (0.66) MAPTNPC1RAB9AHTTDYRK1A
SCHEMBL31219382 0.85 MAPT (0.66) MAPTNPC1RAB9AHTTDYRK1A
SCHEMBL7162058 0.83 DYRK1A (0.64) MAPTNPC1RAB9AHTTDYRK1A
SCHEMBL12199344 0.82 NPC1 (0.67) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL12199355 0.82 NPC1 (0.67) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL12225801 0.82 NPC1 (0.67) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL2482559 0.81 MAPT (0.62) MAPTNPC1RAB9AHTTOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376463-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 EP disclosed
US-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 US disclosed
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 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-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA APP, APBA1, BACE1 MAPT 5/4885NPC1 473/4885RAB9A 2966/4885

“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.