SCHEMBL4283052

SCHEMBL4283052

COc1ccc2sc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.79
AHR P35869 1/20 0.63
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
PKM P14618 1/20 0.60
DYRK1A Q13627 2/20 0.57
HDAC6 Q9UBN7 2/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
SULT1A1 P50225 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
MAPT P10636 2/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL4805108 0.91 AHR (0.71) APPAHRRAB9ASMN1; SMN2KDM4E
SCHEMBL2136362 0.91 SMN1; SMN2 (0.71) APPRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL13806279 0.88 APP (1.00) APPGLAGAASULT1A1
SCHEMBL1572680 0.88 APP (1.00) APPGLAGAASULT1A1
SCHEMBL9112377 0.86 APP (0.59) APPAHRRAB9ASMN1; SMN2KDM4E
SCHEMBL1986466 0.85 APP (0.79) APPRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL12639217 0.84 SMN1; SMN2 (0.71) APPAHRRAB9ASMN1; SMN2KDM4E
SCHEMBL20068806 0.83 DYRK1A (0.63) APPAHRRAB9ASMN1; SMN2KDM4E
SCHEMBL2055268 0.83 DYRK1A (0.65) APPAHRRAB9ASMN1; SMN2KDM4E
SCHEMBL26686891 0.83 APP (0.59) APPRAB9ASMN1; SMN2KDM4ENPC1

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
US-20090142269-A1 ISOTOYPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF OITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-06-04 US disclosed
US-20090142269-A1 ISOTOYPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF OITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-06-04 US disclosed
US-20090142269-A1 ISOTOYPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF OITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-06-04 US disclosed
EP-1971584-A2 ISOTOPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS University of Pittsburgh - Of the Commonwealth System of Higher Education (US) 2008-09-24 EP disclosed
WO-2007064773-A2 ISOTOPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-06-07 WO disclosed
WO-2007064773-A2 ISOTOPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-06-07 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-20090142269-A1 ISOTOYPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS MAPT, TSPO, APP APP 3/4885AHR 568/4885RAB9A 3137/4885

“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.