SCHEMBL1572797

SCHEMBL1572797

COc1ccc2nc(-c3ccc(I)cc3)sc2c1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.74
GLA P06280 1/20 0.71
GAA P10253 1/20 0.71
SULT1A1 P50225 1/20 0.66
SNCA P37840 1/20 0.62
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
PKM P14618 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 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
SCHEMBL5429982 0.91 APP (0.83) APPGLAGAASULT1A1SNCA
SCHEMBL26017584 0.87 APP (0.76) APPGLAGAASULT1A1SNCA
SCHEMBL12974045 0.85 APP (1.00) APPGLAGAASULT1A1KDM4E
SCHEMBL21752042 0.85 APP (0.74) APPGLAGAASULT1A1SNCA
SCHEMBL4801119 0.85 SULT1A1 (0.84) APPGLAGAASULT1A1SNCA
SCHEMBL23766560 0.85 APP (0.74) APPGLAGAASULT1A1KDM4E
SCHEMBL13806279 0.85 APP (1.00) APPGLAGAASULT1A1
SCHEMBL1572680 0.85 APP (1.00) APPGLAGAASULT1A1
SCHEMBL1977100 0.85 APP (1.00) APPGLAGAASULT1A1KDM4E
SCHEMBL27917560 0.85 APP (0.74) APPGLAGAASULT1A1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307337-B1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS UNIV CALIFORNIA (US) 2016-01-13 EP disclosed
US-8674101-B2 Nucleophilic fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 US disclosed
US-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 US disclosed
EP-2307337-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS The Regents Of The University Of California (US) 2011-04-13 EP disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
WO-2010008522-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-21 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS SLC18A2, AFF4, SLC6A19 APP 3862/4885GLA 3566/4885GAA 926/4885
US-20090142269-A1 ISOTOYPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS MAPT, TSPO, APP APP 3/4885GLA 1082/4885GAA 1207/4885

“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.