SCHEMBL6404359

SCHEMBL6404359

FC(F)(F)c1cccc(-c2nnc(SCCc3ccccc3)[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
CXCR2 P25025 1/20 0.46
SCN2A Q99250 2/20 0.45
MAPK14 Q16539 3/20 0.44
MAOB P27338 1/20 0.44
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRK6 P43250 1/20 0.43
MEN1 O00255 1/20 0.42
TNF P01375 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6410250 0.83 HRH1 (0.46) HRH1HRH4SCN2AMAPK14TSHR
SCHEMBL21763890 0.82 MAPK14 (0.53) HRH1HRH4SCN2AMAPK14TSHR
SCHEMBL14907729 0.81 GRK6 (0.63) HRH1HRH4SCN2AMAPTTSHR
SCHEMBL6406096 0.80 RAB9A (0.52) MAOBUSP2MAPTALOX15TSHR
SCHEMBL6406678 0.80 MAPK14 (0.47) HRH1HRH4CXCR2SCN2AMAPK14
SCHEMBL18540506 0.77 GRK6 (0.50) HRH1HRH4SCN2AMAPTTSHR
SCHEMBL6405975 0.76 HRH1 (0.44) HRH1HRH4SCN2AMAPTTSHR
SCHEMBL6407620 0.76 ALDH1A1 (0.48) HRH1HRH4MAPTMAPK1GRK6
SCHEMBL16171055 0.71 GRK6 (0.52) MAPTGRK6KMT2APIN1
SCHEMBL31429139 0.70 SCN2A (0.55) HRH1HRH4SCN2AMAPK14TSHR

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 2750/4885CXCR2 4792/4885

“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.