SCHEMBL6838733

SCHEMBL6838733

Fc1ccc2c(c1)nc(C(F)(F)F)c1nc(-c3cccs3)n(CCC3CCNCC3)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.33
NLRP3 Q96P20 1/20 0.32
HTR6 P50406 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 2/20 0.32
S1PR2 O95136 1/20 0.32
XBP1 P17861 1/20 0.32
NR2F2 P24468 1/20 0.32
NTSR1 P30989 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6840088 0.92 MAPT (0.35) NLRP3HTR6HDAC3HDAC1HDAC2
SCHEMBL6838050 0.91 HTR6 (0.38) NLRP3HTR6HDAC3HDAC1HDAC2
SCHEMBL6840109 0.90 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL6838640 0.87 KCNH2 (0.37) NLRP3HTR6KDM4EALDH1A1HPGD
SCHEMBL6838725 0.86 SLC6A2 (0.37)
SCHEMBL6833986 0.86 AVPR2 (0.35) CCR3HTR6NPY1R
SCHEMBL6838718 0.86 CCR3 (0.33) CCR3NPY1R
SCHEMBL6838596 0.84 CCR3 (0.34) CCR3NPY1R
SCHEMBL6840136 0.83 CCR3 (0.33) CCR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6840138 0.83 NPY1R (0.35) HTR6HDAC3HDAC1HDAC2KDM4E

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-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 EP 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-20040054182-A1 1h-imidazopyridine derivatives IL2, IL1A, IL4 CCR3 66/4885NLRP3 1011/4885HTR6 3067/4885

“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.