SCHEMBL12199352

SCHEMBL12199352

COc1ccc2nc(NC(=O)c3cccc([19F])n3)sc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.71
RAB9A P51151 10/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
MAPT P10636 3/20 0.71
KDM4E B2RXH2 3/20 0.71
SCD O00767 9/20 0.69
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
HTT P42858 2/20 0.64
TP53 P04637 2/20 0.64
POLB P06746 2/20 0.64
USP2 O75604 1/20 0.64
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C19 P33261 1/20 0.63
DYRK1A Q13627 1/20 0.63
CASP2 P42575 1/20 0.61
GHSR Q92847 1/20 0.61
ALDH1A1 P00352 1/20 0.60
HPGD P15428 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
SCHEMBL12199327 1.00 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL2482066 1.00 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL2486766 0.87 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL13329557 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL12199360 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL12199336 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL12199437 0.85 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL2482549 0.84 RAB9A (0.70) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL13329867 0.84 HSD17B1 (0.66) NPC1RAB9ASMN1; SMN2MAPTSCD
SCHEMBL12199345 0.84 HSD17B1 (0.66) NPC1RAB9ASMN1; SMN2MAPTSCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 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-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA APP, APBA1, BACE1 NPC1 473/4885RAB9A 2966/4885SMN1; SMN2 1016/4885

“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.