SCHEMBL21628599

SCHEMBL21628599

O=C(NO)c1ccc(Oc2ccc(C3CC3)cc2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.54
OPRM1 P35372 7/20 0.54
HDAC6 Q9UBN7 8/20 0.51
HDAC1 Q13547 6/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC3 O15379 3/20 0.50
HDAC11 Q96DB2 2/20 0.50
SCN8A Q9UQD0 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
HDAC2 Q92769 1/20 0.45
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
PARP10 Q53GL7 1/20 0.40
OPRD1 P41143 5/20 0.40

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
SCHEMBL21628463 0.95 HDAC6 (0.56) OPRK1OPRM1HDAC6HDAC1HDAC8
SCHEMBL21628464 0.95 HDAC6 (0.59) OPRK1OPRM1HDAC6HDAC1HDAC8
SCHEMBL21628661 0.94 HDAC6 (0.58) OPRK1OPRM1HDAC6HDAC1HDAC8
SCHEMBL21628785 0.94 HDAC6 (0.58) OPRK1OPRM1HDAC6HDAC1HDAC8
SCHEMBL21628718 0.89 HPGD (0.48) OPRK1OPRM1SCN8ASCN10AKCNQ3
SCHEMBL21628536 0.85 LMNA (0.51) OPRK1OPRM1SCN8ASCN10APARP10
SCHEMBL21628608 0.85 USP2 (0.45) OPRK1OPRM1SCN8ASCN10APARP10
SCHEMBL21628819 0.84 PARP10 (0.54) OPRK1OPRM1SCN8ASCN10APARP10
SCHEMBL21628818 0.84 HPGD (0.46) OPRK1OPRM1HDAC6HDAC1HDAC8
SCHEMBL21628539 0.84 HPGD (0.46) OPRK1OPRM1HDAC6HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (7 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRK1 2780/4885OPRM1 3978/4885HDAC6 2604/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRK1 2780/4885OPRM1 3978/4885HDAC6 2604/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK OPRK1 3124/4885OPRM1 4075/4885HDAC6 2978/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRK1 2780/4885OPRM1 3978/4885HDAC6 2604/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR OPRK1 684/4885OPRM1 817/4885HDAC6 1293/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRK1 2780/4885OPRM1 3978/4885HDAC6 2604/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRK1 2780/4885OPRM1 3978/4885HDAC6 2604/4885

“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.