SCHEMBL20501210

SCHEMBL20501210

COC(=O)c1cc(F)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
VCAM1 P19320 1/20 0.40
WDR5 P61964 1/20 0.39
CFTR P13569 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
ITGB1 P05556 1/20 0.37

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
SCHEMBL29569855 1.00 SIRT6 (0.44) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL29679513 0.87 SIRT6 (0.48) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1640894 0.87 SIRT6 (0.48) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2895340 0.86 PDGFRB (0.50) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL18953141 0.83 SIRT6 (0.45) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL29611567 0.83 SIRT6 (0.45) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL13107196 0.83 PDGFRB (0.51) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL11922583 0.82 TDP1 (0.50) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2609072 0.82 SIRT6 (0.44) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL26090914 0.82 POLB (0.49) SIRT6PDGFRBFGFR1PDGFRAFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-23 US disclosed
US-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-17 US disclosed
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-12 US disclosed
WO-2018170275-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-09-20 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-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists OPRD1, OPRM1, OPRK1 SIRT6 4335/4885PDGFRB 1088/4885FGFR1 3292/4885
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS OPRD1, OPRM1, OPRK1 SIRT6 4335/4885PDGFRB 1088/4885FGFR1 3292/4885
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, KMT5A, CDKL1 SIRT6 800/4885PDGFRB 3573/4885FGFR1 1705/4885

“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.