SCHEMBL21628694

SCHEMBL21628694

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC6A4 P31645 2/20 0.53
SLC6A2 P23975 1/20 0.53
ICAM1 P05362 1/20 0.50
SELE P16581 1/20 0.50
MAPK1 P28482 1/20 0.50
IGFBP3 P17936 1/20 0.50
RAF1 P04049 2/20 0.49
MMP13 P45452 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.46
PLK1 P53350 1/20 0.45
MAPK14 Q16539 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL21628492 0.90 HPGD (0.51) MAPTKDM4EHPGDTSHRHTT
SCHEMBL21628649 0.90 HPGD (0.51) MAPTKDM4EHPGDTSHRHTT
SCHEMBL21657035 0.90 HPGD (0.54) MAPTKDM4EHPGDTSHRHTT
SCHEMBL29920883 0.90 HPGD (0.54) MAPTKDM4EHPGDTSHRHTT
SCHEMBL21628602 0.88 MAPT (0.52) MAPTKDM4EMAPK1IGFBP3MAPK14
SCHEMBL21628504 0.88 SLC6A2 (0.49) MAPTKDM4EHPGDTSHRHTT
SCHEMBL21628471 0.87 SLC6A2 (0.48) MAPTKDM4EHPGDTSHRHTT
SCHEMBL21628831 0.85 MAPT (0.55) MAPTKDM4EHPGDHTTMAPK1
SCHEMBL21628487 0.85 SLC6A2 (0.49) MAPTKDM4EHPGDTSHRHTT
SCHEMBL21656765 0.85 MMP13 (0.65) MAPTHPGDTSHRHTTSMN1; 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 6 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-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 (4 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-11591289-B2 Aromatic compounds AHR, TYR, MUSK MAPT 2195/4885KDM4E 152/4885HPGD 2313/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885KDM4E 143/4885HPGD 2579/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885KDM4E 143/4885HPGD 2579/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885KDM4E 143/4885HPGD 2579/4885

“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.