SCHEMBL22809489

SCHEMBL22809489

NCCOc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
KDM4E B2RXH2 3/20 0.42
ESR1 P03372 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.40
PDE2A O00408 1/20 0.39
KIF11 P52732 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL4008713 0.86 IDO1 (0.47) IDO1KDM4EESR1L3MBTL1LMNA
SCHEMBL1682422 0.84 KDM4E (0.47) KDM4EESR1MAPTKMT2AKIF11
SCHEMBL165552 0.84 ESR1 (0.57) KDM4EESR1L3MBTL1LMNAMAPT
SCHEMBL3451748 0.84 RXRA (0.50) IDO1KDM4EESR1L3MBTL1LMNA
SCHEMBL9306383 0.83 MRGPRX4 (0.56) MRGPRX4
SCHEMBL10086780 0.83 KDM4E (0.40) IDO1KDM4EESR1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL28350759 0.83 ESR1 (0.56) IDO1KDM4EESR1L3MBTL1LMNA
SCHEMBL22809506 0.81 HTR2A (0.44) KDM4EESR1L3MBTL1HTTKMT2A
SCHEMBL22809542 0.80 RXFP1 (0.44) IDO1KDM4ELMNAMAPTHPGD
Hydrochloric Acid SCHEMBL28354588 0.80 HTR2A (0.46) KDM4EL3MBTL1MAPTHTTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 US disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP 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 (1 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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A IDO1 3986/4885KDM4E 1418/4885ESR1 4567/4885

“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.