SCHEMBL21628602

SCHEMBL21628602

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
IGFBP3 P17936 1/20 0.51
MAPK1 P28482 1/20 0.48
HDAC6 Q9UBN7 6/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 5/20 0.47
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
MAPK14 Q16539 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
HDAC2 Q92769 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
TRPV1 Q8NER1 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
SCHEMBL21628839 0.90 OPRM1 (0.45) MAPTKDM4EIGFBP3MAPK1HDAC6
SCHEMBL21628726 0.90 OPRM1 (0.45) MAPTKDM4EIGFBP3MAPK1HDAC6
SCHEMBL21628694 0.88 MAPT (0.54) MAPTKDM4EIGFBP3MAPK1MAPK14
SCHEMBL21628876 0.88 HDAC1 (0.58) MAPTKDM4EHDAC6HDAC8HDAC3
SCHEMBL21628613 0.87 OPRM1 (0.43) MAPTKDM4EIGFBP3MAPK1HDAC6
SCHEMBL21628670 0.86 OPRM1 (0.43) MAPTKDM4EIGFBP3MAPK1HDAC6
SCHEMBL21656739 0.85 IGFBP3 (0.59) MAPTKDM4EIGFBP3MAPK1MAPK14
SCHEMBL21628873 0.84 MAPK14 (0.58) MAPTKDM4EHDAC6HDAC8HDAC3
SCHEMBL21628831 0.84 MAPT (0.55) MAPTKDM4EIGFBP3MAPK1SCN8A
SCHEMBL21628754 0.83 PARP10 (0.56) MAPTKDM4EIGFBP3MAPK1OPRM1

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 MAPT 2272/4885KDM4E 143/4885IGFBP3 3214/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885KDM4E 143/4885IGFBP3 3214/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK MAPT 2195/4885KDM4E 152/4885IGFBP3 2998/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885KDM4E 143/4885IGFBP3 3214/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR MAPT 4404/4885KDM4E 1660/4885IGFBP3 1912/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885KDM4E 143/4885IGFBP3 3214/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885KDM4E 143/4885IGFBP3 3214/4885

“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.