SCHEMBL2485586

SCHEMBL2485586

COc1ccc2nc(NC(=O)c3cc(F)ccn3)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.72
RAB9A P51151 13/20 0.72
KMT2A Q03164 7/20 0.72
MEN1 O00255 5/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
MAPT P10636 4/20 0.72
HTT P42858 3/20 0.72
POLB P06746 3/20 0.72
TP53 P04637 3/20 0.72
USP2 O75604 1/20 0.72
SCD O00767 7/20 0.69
PKM P14618 3/20 0.62
OPRK1 P41145 2/20 0.62
AGTR1 P30556 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
DYRK1A Q13627 1/20 0.62
CASP2 P42575 1/20 0.60

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
SCHEMBL12199325 1.00 NPC1 (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL12199348 1.00 NPC1 (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2484180 0.86 NPC1 (0.74) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL12199326 0.86 NPC1 (0.74) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL12199351 0.86 NPC1 (0.74) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL12199334 0.85 NPC1 (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL12199356 0.85 NPC1 (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13329426 0.85 NPC1 (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13329388 0.84 NPC1 (0.67) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL12199340 0.84 NPC1 (0.67) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 6 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
US-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 US 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
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 NPC1 473/4885RAB9A 2966/4885KMT2A 2763/4885

“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.