SCHEMBL21628754

SCHEMBL21628754

NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.56
CHEK2 O96017 2/20 0.53
IGFBP3 P17936 1/20 0.53
MAOB P27338 1/20 0.51
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ICAM1 P05362 1/20 0.47
SELE P16581 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP11 Q9NR21 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
OPRK1 P41145 6/20 0.45
OPRM1 P35372 5/20 0.45

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
SCHEMBL21628773 0.89 PARP10 (0.54) PARP10CHEK2IGFBP3MAOBMAPT
SCHEMBL21628807 0.89 PARP10 (0.54) PARP10CHEK2IGFBP3MAOBMAPT
SCHEMBL21628485 0.87 PARP10 (0.55) PARP10CHEK2SLC6A2SLC6A4ICAM1
SCHEMBL21656739 0.87 IGFBP3 (0.59) IGFBP3MAPTKDM4EMAPK1
SCHEMBL21628736 0.87 PARP10 (0.51) PARP10CHEK2IGFBP3MAOBMAPT
SCHEMBL21628387 0.85 PARP10 (0.50) PARP10CHEK2IGFBP3MAOBMAPT
SCHEMBL3024115 0.85 PARP10 (0.67) PARP10CHEK2MAOBSLC6A2SLC6A4
SCHEMBL27245278 0.84 PARP10 (0.62) PARP10SLC6A2SLC6A4ALDH1A1KMT2A
SCHEMBL21628602 0.83 MAPT (0.52) IGFBP3MAPTKDM4EOPRK1OPRM1
SCHEMBL21628831 0.83 MAPT (0.55) IGFBP3MAPTKDM4EALDH1A1KMT2A

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 PARP10 1944/4885CHEK2 1276/4885IGFBP3 3214/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PARP10 1944/4885CHEK2 1276/4885IGFBP3 3214/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PARP10 1897/4885CHEK2 1021/4885IGFBP3 2998/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PARP10 1944/4885CHEK2 1276/4885IGFBP3 3214/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR PARP10 3512/4885CHEK2 604/4885IGFBP3 1912/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PARP10 1944/4885CHEK2 1276/4885IGFBP3 3214/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PARP10 1944/4885CHEK2 1276/4885IGFBP3 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.