SCHEMBL30471981

SCHEMBL30471981

[2H]C([2H])([2H])NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TAAR1 Q96RJ0 1/20 0.44
KCNH2 Q12809 3/20 0.43
TMEM97 Q5BJF2 3/20 0.43
LSS P48449 1/20 0.43
IDO1 P14902 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
FFAR1 O14842 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL296280 0.85 ALDH1A1 (0.55) ALDH1A1TAAR1KCNH2TMEM97LSS
Iodide SCHEMBL31186398 0.83 ALDH1A1 (0.53) ALDH1A1TAAR1KCNH2TMEM97LSS
SCHEMBL2092499 0.80 KIF11 (0.57) ALDH1A1TAAR1MAOB
SCHEMBL1436108 0.76 PTPN1 (0.54) ALDH1A1TAAR1KCNH2TMEM97IDO1
SCHEMBL25588013 0.74 ALDH1A1 (0.52) ALDH1A1TAAR1KCNH2TMEM97LSS
SCHEMBL27982876 0.74 ALDH1A1 (0.52) ALDH1A1TAAR1KCNH2TMEM97LSS
Hydrochloric Acid SCHEMBL7347655 0.74 IDO1 (0.52) ALDH1A1TAAR1KCNH2TMEM97LSS
SCHEMBL12233642 0.73 ALDH1A1 (0.51) ALDH1A1TAAR1KCNH2TMEM97LSS
SCHEMBL3964858 0.73 ALDH1A1 (0.51) ALDH1A1TAAR1KCNH2TMEM97LSS
SCHEMBL15129318 0.72 ALDH1A1 (0.50) ALDH1A1TAAR1KCNH2TMEM97LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 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 (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-11685727-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 ALDH1A1 1638/4885TAAR1 1091/4885KCNH2 4790/4885

“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.