SCHEMBL4307232

SCHEMBL4307232

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
ALDH1A1 P00352 7/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PIM1 P11309 2/20 0.40
GAA P10253 2/20 0.40
NTRK1 P04629 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SCN9A Q15858 5/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SCN10A Q9Y5Y9 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
SCHEMBL4302004 0.80 SCN9A (0.43) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL16739635 0.79 ALDH1A1 (0.42) NR1H2NR1H3ALDH1A1HPGDKDM4E
SCHEMBL27831160 0.78 SMN1; SMN2 (0.43) NR1H2NR1H3ALDH1A1HPGDKDM4E
SCHEMBL28709902 0.77 KMT2A (0.38) KDM4EKMT2APIM1NTRK1POLB
SCHEMBL6024428 0.76 ESR1 (0.51) NR1H2NR1H3ALDH1A1HPGDKDM4E
SCHEMBL28755801 0.76 SCN9A (0.39) NR1H2NR1H3ALDH1A1HPGDKDM4E
SCHEMBL16487054 0.76 KMT2A (0.41) ALDH1A1HPGDKDM4ELMNATSHR
SCHEMBL3759587 0.71 AAK1 (0.38) ALDH1A1HPGDKDM4EKMT2APIM1
SCHEMBL4307227 0.70 KMO (0.47) ALDH1A1TSHRSCN9ACYP2C19SCN10A
SCHEMBL6266210 0.70 TRPV1 (0.44) ALDH1A1HPGDKDM4ELMNATSHR

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 NR1H2 443/4885NR1H3 644/4885ALDH1A1 323/4885

“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.