SCHEMBL4302004

SCHEMBL4302004

Cc1ncc(OC(F)(F)F)c(-c2ccccc2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.43
SCN10A Q9Y5Y9 2/20 0.41
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL16487054 0.84 KMT2A (0.41) NTRK1PIM1GAAMEN1KMT2A
SCHEMBL4307232 0.80 NR1H2 (0.43) SCN9ASCN10ANTRK1PIM1GAA
SCHEMBL4302003 0.73 SCN9A (0.50) SCN9ASCN10ACYP2C9CYP3A4CYP2D6
SCHEMBL28207099 0.72 SCN9A (0.42) SCN9ASCN10ANTRK1PIM1GAA
SCHEMBL6676513 0.72 SCN9A (0.41) SCN9ASCN10ACYP2C9CYP3A4CYP2D6
SCHEMBL27855040 0.72 SCN9A (0.46) SCN9ASCN10AGAAMEN1KMT2A
SCHEMBL2462564 0.68 SMN1; SMN2 (0.41) GAAKMT2AKDM4ENPC1ALDH1A1
SCHEMBL2824267 0.66 ALDH1A1 (0.48) SCN9AGAAMEN1KMT2AKDM4E
SCHEMBL6024428 0.66 ESR1 (0.51) SCN9AGAAMEN1KMT2ACYP3A4
SCHEMBL4301998 0.66 SCN9A (0.47) SCN9ASCN10ACYP2C9CYP3A4CYP2D6

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-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US claimed

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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 SCN9A 2437/4885SCN10A 1733/4885NTRK1 261/4885

“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.