SCHEMBL13965833

SCHEMBL13965833

CC(C)(C)CCNCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.51
ALDH1A1 P00352 1/20 0.46
KCNH2 Q12809 3/20 0.43
TMEM97 Q5BJF2 3/20 0.43
PHGDH O43175 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPRZ1 P23471 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MTOR P42345 1/20 0.41
S1PR1 P21453 2/20 0.40
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR3 Q99500 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LSS P48449 1/20 0.40
RORC P51449 1/20 0.39

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
SCHEMBL13965851 0.81 CHRM2 (0.58) SCN8AALDH1A1KMT2ACA1CA2
SCHEMBL8446318 0.81 SCN8A (0.54) SCN8AALDH1A1KCNH2TMEM97PHGDH
SCHEMBL1436108 0.80 PTPN1 (0.54) SCN8AALDH1A1KCNH2TMEM97PTPN1
Hydrochloric Acid SCHEMBL8446020 0.80 SCN8A (0.52) SCN8AALDH1A1KCNH2TMEM97PHGDH
SCHEMBL23545652 0.79 SCN8A (0.51) SCN8AALDH1A1KCNH2TMEM97PHGDH
SCHEMBL9784473 0.79 ESR1 (0.47) PTPN1PTPRZ1MEN1KMT2AS1PR1
SCHEMBL24431404 0.79 L3MBTL1 (0.44) MEN1KMT2AS1PR1S1PR2S1PR4
SCHEMBL5176818 0.79 CA1 (0.62) SCN8AALDH1A1KCNH2TMEM97MEN1
SCHEMBL3960489 0.79 SCN8A (0.58) SCN8AALDH1A1KCNH2TMEM97MEN1
SCHEMBL17282056 0.78 ESR1 (0.50) SCN8AALDH1A1TMEM97MEN1KMT2A

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-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS SCN8A 4528/4885ALDH1A1 807/4885KCNH2 2989/4885

“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.