SCHEMBL6405975

SCHEMBL6405975

OCC(O)CSc1nnc(-c2cccc(C(F)(F)F)c2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
SCN2A Q99250 2/20 0.42
GRK6 P43250 1/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
PIN1 Q13526 1/20 0.40
PNMT P11086 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
STAT6 P42226 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
SCHEMBL6408132 0.82 HRH1 (0.41) HRH1SCN2AALDH1A1GAAPIN1
SCHEMBL21763890 0.80 MAPK14 (0.53) HRH1HRH4SCN2AGRK6ALDH1A1
SCHEMBL14907729 0.79 GRK6 (0.63) HRH1HRH4SCN2AGRK6ALDH1A1
SCHEMBL18540506 0.78 GRK6 (0.50) HRH1HRH4SCN2AGRK6ALDH1A1
SCHEMBL6404359 0.76 HRH1 (0.49) HRH1HRH4SCN2AGRK6PIN1
SCHEMBL6410250 0.76 HRH1 (0.46) HRH1HRH4SCN2AGRK6ALDH1A1
SCHEMBL6411295 0.76 MAPK14 (0.41) ALDH1A1KDM4ENPC1CYP1A2CYP3A4
SCHEMBL6406678 0.74 MAPK14 (0.47) HRH1HRH4SCN2AGRK6ALDH1A1
SCHEMBL6407620 0.72 ALDH1A1 (0.48) HRH1HRH4GRK6ALDH1A1GAA
SCHEMBL6408996 0.71 MAPK14 (0.39) ALDH1A1ATMKDM4ENPC1CYP1A2

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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT HRH1 2884/4885HRH4 2750/4885SCN2A 4359/4885

“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.