SCHEMBL10070508

SCHEMBL10070508

Clc1ccc(-c2n[nH]c(C3CCNCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 1/20 0.45
TLR9 Q9NR96 2/20 0.44
TLR8 Q9NR97 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
AOC3 Q16853 6/20 0.43
HTR3A P46098 1/20 0.42
USP30 Q70CQ3 2/20 0.42
EGFR P00533 1/20 0.41
RET P07949 1/20 0.41
KDR P35968 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
IKBKB O14920 1/20 0.40
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 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
Tert-Butyl Formate SCHEMBL27832375 0.86 TLR9 (0.41) NR1H2NR1H3TLR9TLR8TLR7
SCHEMBL10070513 0.85 MKNK1 (0.54) TLR9TLR8TLR7AOC3USP30
SCHEMBL10070058 0.84 USP30 (0.56) NR1H2NR1H3TLR9TLR8TLR7
SCHEMBL2972353 0.83 MKNK1 (0.52) TLR9TLR8TLR7AOC3USP30
SCHEMBL10070543 0.83 GABRA1 (0.45) TLR9TLR8TLR7USP30MAPK1
Hydrochloric Acid SCHEMBL31583248 0.82 GABRA1 (0.44) TLR9TLR8TLR7USP30GABRA1
SCHEMBL10069533 0.76 MKNK1 (0.43) TLR9TLR8TLR7AOC3USP30
SCHEMBL10070112 0.74 CPT1A (0.45) TLR9TLR8TLR7USP30KMT2A
SCHEMBL31628181 0.74 NR1H2 (0.50) NR1H2NR1H3TLR9TLR8TLR7
SCHEMBL25148551 0.74 USP30 (0.61) NR1H2NR1H3AOC3USP30

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 WO 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 NR1H2 971/4885NR1H3 654/4885TLR9 2889/4885

“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.