SCHEMBL21628554

SCHEMBL21628554

O=C(NO)c1cnc(Oc2ccc(C3CC3)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.45
HDAC1 Q13547 8/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC3 O15379 9/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC2 Q92769 7/20 0.40
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL21628664 0.95 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC3HDAC11
SCHEMBL21628739 0.95 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC3HDAC11
SCHEMBL20482263 0.94 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC3HDAC11
SCHEMBL21628663 0.94 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC3HDAC11
SCHEMBL21628762 0.89 CSF1R (0.43) SCN8ASCN10APDE4APDE4BPDE4D
SCHEMBL21628617 0.86 MRGPRX4 (0.46)
SCHEMBL21628578 0.86 ALOX5AP (0.40)
SCHEMBL21628849 0.85 PARP10 (0.47)
SCHEMBL21656946 0.85 SCN9A (0.43) HDAC6HDAC1HDAC8SMN1; SMN2
SCHEMBL21628704 0.85 SCN9A (0.45) HDAC6HDAC1HDAC8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 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 (5 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-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC1 1840/4885HDAC8 768/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HDAC6 2978/4885HDAC1 2387/4885HDAC8 883/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC1 1840/4885HDAC8 768/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC1 1840/4885HDAC8 768/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC1 1840/4885HDAC8 768/4885

“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.