SCHEMBL21628486

SCHEMBL21628486

NC(=O)c1cnc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PARP10 Q53GL7 2/20 0.36
PTGER4 P35408 1/20 0.36
HPGDS O60760 1/20 0.36
MAOB P27338 1/20 0.36
CHEK2 O96017 3/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP16 Q8N5Y8 1/20 0.36
PARP11 Q9NR21 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL21628610 0.96 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EMAPTPARP10PTGER4
SCHEMBL21656911 0.93 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTPARP10PTGER4
SCHEMBL29920878 0.93 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTPARP10PTGER4
SCHEMBL21628709 0.89 PTGER4 (0.43) SMN1; SMN2PTGER4LTA4HKCNH2SCN9A
SCHEMBL21628879 0.88 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTPARP10PTGER4
SCHEMBL21628728 0.88 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMAPTMAOBCHEK2
SCHEMBL21628605 0.86 LMNA (0.47) SMN1; SMN2KDM4EMAPTPTGER4ALDH1A1
SCHEMBL21628419 0.86 HDAC6 (0.42) PTGER4
SCHEMBL21628543 0.86 PTGER4 (0.43) SMN1; SMN2PTGER4LTA4HKCNH2SCN9A
SCHEMBL21628834 0.85 SMN1; SMN2 (0.40) SMN1; SMN2PTGER4ALDH1A1SCN9ALMNA

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 SMN1; SMN2 796/4885KDM4E 143/4885MAPT 2272/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMN1; SMN2 796/4885KDM4E 143/4885MAPT 2272/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK SMN1; SMN2 1107/4885KDM4E 152/4885MAPT 2195/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMN1; SMN2 796/4885KDM4E 143/4885MAPT 2272/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR SMN1; SMN2 919/4885KDM4E 1660/4885MAPT 4404/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMN1; SMN2 796/4885KDM4E 143/4885MAPT 2272/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMN1; SMN2 796/4885KDM4E 143/4885MAPT 2272/4885

“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.