SCHEMBL21628401

SCHEMBL21628401

O=C(NO)c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.48
STS P08842 1/20 0.47
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
HIF1A Q16665 3/20 0.41
EPAS1 Q99814 2/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 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
SCHEMBL21656769 0.90 STS (0.47) STSMEN1RAB9AKMT2APPARG
SCHEMBL20482361 0.87 HIF1A (0.51) STSMEN1RAB9AKMT2APPARG
SCHEMBL21628438 0.86 HIF1A (0.54) STSMEN1RAB9AKMT2APPARG
SCHEMBL21628459 0.86 HIF1A (0.50) STSOPRM1OPRK1MEN1RAB9A
SCHEMBL21628537 0.84 MEN1 (0.51) HDAC6MEN1RAB9AKMT2AHIF1A
SCHEMBL21656934 0.83 SLC6A2 (0.46) STSMEN1RAB9AKMT2APPARG
SCHEMBL21628452 0.81 HIF1A (0.52) MEN1RAB9AKMT2APPARGPPARD
SCHEMBL21657041 0.81 HDAC6 (0.43) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL21656895 0.80 OPRM1 (0.48) HDAC6STSHDAC4HDAC7HDAC11
SCHEMBL16216741 0.79 KMT2A (0.45) MEN1RAB9AKMT2AEPHX2CNR2

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 10 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-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 2604/4885STS 3161/4885HDAC4 816/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885STS 3161/4885HDAC4 816/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HDAC6 2978/4885STS 2902/4885HDAC4 865/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885STS 3161/4885HDAC4 816/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR HDAC6 1293/4885STS 3773/4885HDAC4 842/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885STS 3161/4885HDAC4 816/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885STS 3161/4885HDAC4 816/4885

“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.