SCHEMBL20501200

SCHEMBL20501200

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.46
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CASP6 P55212 1/20 0.40
PARP1 P09874 1/20 0.39
CES2 O00748 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
HIF1A Q16665 1/20 0.37
CDK2 P24941 2/20 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
SCHEMBL405684 0.85 DTYMK (0.51) DTYMKAKR1C2AKR1C1TSHRMAPT
SCHEMBL13948939 0.84 DTYMK (0.50) DTYMKAKR1C2AKR1C1TSHRMAPT
SCHEMBL29569855 0.81 SIRT6 (0.44) MAPTALDH1A1TDP1LMNAHTT
SCHEMBL20501210 0.81 SIRT6 (0.44) MAPTALDH1A1TDP1LMNAHTT
SCHEMBL18953118 0.81 DTYMK (0.47) DTYMKTSHRMAPTALDH1A1CASP6
SCHEMBL7752178 0.79 DTYMK (0.46) DTYMKAKR1C2AKR1C1TSHRMAPT
SCHEMBL14157498 0.79 DTYMK (0.46) DTYMKAKR1C2AKR1C1TSHRMAPT
SCHEMBL10630877 0.79 TSHR (0.47) DTYMKAKR1C2AKR1C1TSHRMAPT
SCHEMBL11697530 0.79 DTYMK (0.60) DTYMKTSHRMAPTALDH1A1CASP6
SCHEMBL7756186 0.77 TDP1 (0.50) MAPTALDH1A1PARP1ATMTDP1

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 DTYMK 3072/4885AKR1C2 2503/4885AKR1C1 2941/4885
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS OPRD1, OPRM1, OPRK1 DTYMK 3072/4885AKR1C2 2503/4885AKR1C1 2941/4885
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, KMT5A, CDKL1 DTYMK 1773/4885AKR1C2 3464/4885AKR1C1 3369/4885

“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.