SCHEMBL3045361

SCHEMBL3045361

COc1ccc2sc3nc(-c4ccc([Sn](C)(C)C)cc4)cn3c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
TP53 P04637 4/20 0.61
RAB9A P51151 3/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TSHR P16473 1/20 0.61
ATM Q13315 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
APP P05067 1/20 0.59
RXFP1 Q9HBX9 1/20 0.51
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
THRB P10828 3/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL3045358 0.91 MAPT (0.74) MAPTTP53RAB9ALMNASMN1; SMN2
SCHEMBL11008475 0.86 MAPT (0.63) MAPTTP53RAB9ALMNASMN1; SMN2
SCHEMBL772567 0.86 MAPT (0.63) MAPTTP53RAB9ALMNASMN1; SMN2
SCHEMBL3045414 0.86 MAPT (0.63) MAPTTP53RAB9ALMNASMN1; SMN2
Bromide SCHEMBL3867316 0.86 TP53 (0.63) MAPTTP53RAB9ALMNASMN1; SMN2
SCHEMBL11015020 0.85 TP53 (0.81) MAPTTP53RAB9ALMNASMN1; SMN2
SCHEMBL771889 0.84 APP (0.83) MAPTTP53RAB9ALMNASMN1; SMN2
SCHEMBL772551 0.84 TP53 (0.61) MAPTTP53RAB9ALMNASMN1; SMN2
SCHEMBL11035096 0.83 MAPT (0.60) MAPTTP53RAB9ALMNASMN1; SMN2
SCHEMBL11037810 0.82 LMNA (0.62) MAPTTP53RAB9ALMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-17 US disclosed
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
EP-2023919-A2 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES Molecular Neuroimaging, LLC (US) 2009-02-18 EP disclosed
WO-2008118122-A2 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC (US) 2008-10-02 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 (3 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-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 MAPT 29/4885TP53 499/4885RAB9A 4657/4885
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 MAPT 29/4885TP53 499/4885RAB9A 4657/4885
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 MAPT 29/4885TP53 499/4885RAB9A 4657/4885

“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.