SCHEMBL21628463

SCHEMBL21628463

O=C(NO)c1ccc(Oc2ccc(C3CCC3)cc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.56
HDAC8 Q9BY41 6/20 0.56
HDAC1 Q13547 5/20 0.56
OPRK1 P41145 8/20 0.55
OPRM1 P35372 7/20 0.55
HDAC3 O15379 3/20 0.48
HDAC11 Q96DB2 2/20 0.48
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
OPRD1 P41143 5/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
HDAC2 Q92769 1/20 0.41
STAT3 P40763 2/20 0.41

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
SCHEMBL21628464 0.98 HDAC6 (0.59) HDAC6HDAC8HDAC1OPRK1OPRM1
SCHEMBL21628661 0.96 HDAC6 (0.58) HDAC6HDAC8HDAC1OPRK1OPRM1
SCHEMBL21628785 0.96 HDAC6 (0.58) HDAC6HDAC8HDAC1OPRK1OPRM1
SCHEMBL21628599 0.95 OPRK1 (0.54) HDAC6HDAC8HDAC1OPRK1OPRM1
SCHEMBL21628818 0.89 HPGD (0.46) HDAC6HDAC8HDAC1OPRK1OPRM1
SCHEMBL21628539 0.87 HPGD (0.46) HDAC6HDAC8HDAC1OPRK1OPRM1
SCHEMBL21628394 0.86 LMNA (0.49) OPRK1OPRM1OPRD1
SCHEMBL21628470 0.86 OPRM1 (0.44) HDAC6HDAC8HDAC1OPRK1OPRM1
SCHEMBL21628413 0.85 OPRK1 (0.44) OPRK1OPRM1SCN8ASCN10AOPRD1
SCHEMBL21628903 0.85 OPRK1 (0.54) OPRK1OPRM1OPRD1

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 HDAC6 2604/4885HDAC8 768/4885HDAC1 1840/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC8 768/4885HDAC1 1840/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HDAC6 2978/4885HDAC8 883/4885HDAC1 2387/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC8 768/4885HDAC1 1840/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR HDAC6 1293/4885HDAC8 699/4885HDAC1 315/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC8 768/4885HDAC1 1840/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC8 768/4885HDAC1 1840/4885

“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.