SCHEMBL1462834

SCHEMBL1462834

CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCN(C(=O)O)CC3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.36
TLR8 Q9NR97 4/20 0.36
TLR7 Q9NYK1 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
TRPC3 Q13507 1/20 0.34
TRPC7 Q9HCX4 1/20 0.34
RBP4 P02753 2/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL1460353 0.93 TGFBR1 (0.40) TLR9TLR8TLR7HDAC3HDAC4
SCHEMBL27862098 0.92 TLR9 (0.41) TLR9TLR8TLR7P2RY14TBK1
SCHEMBL1460273 0.89 HTT (0.43) TGFBR1P2RY14TBK1
SCHEMBL27862133 0.86 IDH1 (0.34) TLR9TLR8TLR7PTGDR2HDAC3
SCHEMBL1460246 0.86 GRIA1 (0.34) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1464559 0.86 PLAT (0.40) TLR9TLR8TLR7
SCHEMBL1463510 0.84 ATR (0.36) PTGDR2HDAC3HDAC4HDAC1HDAC7
Tert-Butyl Formate SCHEMBL27862135 0.80 PLAT (0.38) TLR9TLR8TLR7
SCHEMBL1462534 0.79 ATR (0.37) TLR9TLR8TLR7
SCHEMBL1459177 0.77 SCN9A (0.36) PTGDR2HDAC3HDAC4HDAC1HDAC7

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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E TLR9 4467/4885TLR8 4215/4885TLR7 4319/4885

“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.