SCHEMBL21628896

SCHEMBL21628896

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.49
HDAC6 Q9UBN7 14/20 0.49
HDAC3 O15379 13/20 0.49
HDAC2 Q92769 13/20 0.49
LIPE Q05469 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL21628538 0.90 HDAC6 (0.44) HDAC1HDAC6HDAC3HDAC2
SCHEMBL21628802 0.90 HDAC6 (0.44) HDAC1HDAC6HDAC3HDAC2
SCHEMBL21628565 0.89 RAF1 (0.48) LIPESMN1; SMN2
SCHEMBL21628740 0.89 HDAC6 (0.50) HDAC1HDAC6HDAC3HDAC2
SCHEMBL21628419 0.88 HDAC6 (0.42) HDAC1HDAC6HDAC3HDAC2
SCHEMBL21628668 0.87 HDAC6 (0.42) HDAC1HDAC6HDAC3HDAC2
SCHEMBL21628645 0.86 SMN1; SMN2 (0.47) LIPESMN1; SMN2
SCHEMBL21628650 0.85 LMNA (0.57) LIPESMN1; SMN2
SCHEMBL21628825 0.85 HDAC6 (0.50) HDAC1HDAC6HDAC3HDAC2
SCHEMBL21628728 0.85 SMN1; SMN2 (0.48) LIPESMN1; 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 HDAC1 1840/4885HDAC6 2604/4885HDAC3 1743/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HDAC1 2387/4885HDAC6 2978/4885HDAC3 2037/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC1 1840/4885HDAC6 2604/4885HDAC3 1743/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC1 1840/4885HDAC6 2604/4885HDAC3 1743/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC1 1840/4885HDAC6 2604/4885HDAC3 1743/4885

“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.