SCHEMBL21628837

SCHEMBL21628837

CCCCc1ccc(Oc2ncc(C(=O)NC)cc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.53
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
PLA2G4A P47712 1/20 0.41
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGDS O60760 1/20 0.40
PTGER4 P35408 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL21628857 0.97 PLK1 (0.49) PLK1OPRM1OPRD1PLA2G4ATRPV1
SCHEMBL29921175 0.97 PLK1 (0.49) PLK1OPRM1OPRD1PLA2G4ATRPV1
SCHEMBL21628698 0.96 PLK1 (0.48) PLK1OPRM1OPRD1PLA2G4ATRPV1
SCHEMBL21628686 0.93 PLK1 (0.51) PLK1OPRM1OPRD1SMN1; SMN2ALDH1A1
SCHEMBL21628665 0.91 SMPD1 (0.47) PLK1TRPV1SMN1; SMN2NPC1ALDH1A1
SCHEMBL21656917 0.89 PLK1 (0.49) PLK1OPRM1OPRD1SMN1; SMN2HPGDS
SCHEMBL21628883 0.88 SMPD1 (0.52) TRPV1PTGER4
SCHEMBL21628713 0.88 MDH1 (0.48) PLK1TRPV1SMN1; SMN2NPC1ALDH1A1
SCHEMBL21628425 0.87 RARB (0.48) PLA2G4ASMN1; SMN2NPC1ALDH1A1NFKB1
SCHEMBL21628415 0.87 SMPD1 (0.53) PLK1TRPV1

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 PLK1 3032/4885OPRM1 3978/4885OPRD1 2899/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885OPRM1 3978/4885OPRD1 2899/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PLK1 2623/4885OPRM1 4075/4885OPRD1 3247/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885OPRM1 3978/4885OPRD1 2899/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR PLK1 3885/4885OPRM1 817/4885OPRD1 706/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885OPRM1 3978/4885OPRD1 2899/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885OPRM1 3978/4885OPRD1 2899/4885

“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.