SCHEMBL12199484

SCHEMBL12199484

CCOCOc1ccc2nc(NC(=O)c3ccc([I+]c4ccc(OC)cc4)cn3)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
NPC1 O15118 11/20 0.55
RAB9A P51151 11/20 0.55
TP53 P04637 5/20 0.55
KDM4E B2RXH2 3/20 0.55
GLA P06280 1/20 0.55
SMN1; SMN2 Q16637 9/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
HTT P42858 2/20 0.55
POLB P06746 2/20 0.55
PKM P14618 1/20 0.55
OPRK1 P41145 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
USP2 O75604 1/20 0.55
CSNK1D P48730 2/20 0.54
SCD O00767 3/20 0.53
MAPK1 P28482 1/20 0.52
CASP2 P42575 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
Bromide SCHEMBL2484684 0.99 MAPT (0.57) MAPTNPC1RAB9ATP53KDM4E
SCHEMBL12199478 0.93 MAPT (0.60) MAPTNPC1RAB9ATP53KDM4E
SCHEMBL12199481 0.93 MAPT (0.59) MAPTNPC1RAB9ATP53KDM4E
Bromide SCHEMBL2484769 0.92 MAPT (0.59) MAPTNPC1RAB9ATP53KDM4E
Bromide SCHEMBL2483590 0.92 MAPT (0.58) MAPTNPC1RAB9ATP53KDM4E
SCHEMBL12199457 0.90 SCD (0.67) MAPTNPC1RAB9ATP53KDM4E
SCHEMBL12199442 0.90 NPC1 (0.66) MAPTNPC1RAB9ATP53KDM4E
SCHEMBL12199270 0.88 MAPT (0.52) MAPTNPC1RAB9ATP53KDM4E
SCHEMBL12199466 0.86 SCD (0.61) MAPTNPC1RAB9ATP53KDM4E
SCHEMBL12199521 0.85 CASP3 (0.59) MAPTNPC1RAB9ATP53KDM4E

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 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.