SCHEMBL2483529

SCHEMBL2483529

CCOCOc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])n3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.61
NPC1 O15118 11/20 0.61
MAPT P10636 8/20 0.61
KMT2A Q03164 5/20 0.61
PKM P14618 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
OPRK1 P41145 1/20 0.61
SMN1; SMN2 Q16637 10/20 0.58
KDM4E B2RXH2 3/20 0.58
TP53 P04637 4/20 0.56
GLA P06280 1/20 0.55
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 4/20 0.52
CSNK1D P48730 2/20 0.51
SCD O00767 1/20 0.51
USP2 O75604 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL2485970 0.86 RAB9A (0.64) RAB9ANPC1MAPTKMT2APKM
SCHEMBL2482549 0.86 RAB9A (0.70) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL2482559 0.85 MAPT (0.62) RAB9ANPC1MAPTKMT2APKM
SCHEMBL2482782 0.85 NPC1 (0.60) RAB9ANPC1MAPTKMT2APKM
SCHEMBL12199474 0.84 RAB9A (0.62) RAB9ANPC1MAPTKMT2APKM
SCHEMBL2483284 0.80 NPC1 (0.67) RAB9ANPC1MAPTKMT2AOPRK1
SCHEMBL3347336 0.79 RAB9A (0.60) RAB9ANPC1MAPTKMT2APKM
Trifluoromethanesulfonic Acid SCHEMBL2537311 0.79 MAPT (0.54) RAB9ANPC1MAPTKMT2APKM
SCHEMBL14790064 0.79 NPC1 (0.68) RAB9ANPC1MAPTKMT2APKM
Bromide SCHEMBL3351950 0.79 MAPT (0.62) RAB9ANPC1MAPTKMT2APKM

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 RAB9A 2966/4885NPC1 473/4885MAPT 5/4885

“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.