SCHEMBL21888308

SCHEMBL21888308

Cc1nc(CC(C)c2ccccn2)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ KCNA5 P22460 5/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ SLC6A2 P23975 3/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ CHRM5 P08912 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ HRH2 P25021 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ SCN1A P35498 1/20 0.35

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
SCHEMBL24199566 0.84 TSHR (0.36) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL22725661 0.74 TSHR (0.38) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL20757741 0.72 SLC6A3 (0.45) TSHRSLC6A3
SCHEMBL26278070 0.71 ESR1 (0.45) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL29750645 0.71 L3MBTL1 (0.41) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL3249970 0.70 MAOA (0.50) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL25003875 0.70 TSHR (0.41) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL21703726 0.70 TSHR (0.37) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL20375684 0.70 KCNA5 (0.39) TSHRKCNA5KCNH2HRH3CYP2D6
SCHEMBL20385424 0.69 ESR1 (0.46) TSHRKCNA5KCNH2SLC6A2SLC6A4

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-20200085053-A1 THIOBENZOIMIDAZOLE AS FUNGICIDES REDAG CROP PROT LTD (GB) 2020-03-19 — — 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-20200085053-A1 THIOBENZOIMIDAZOLE AS FUNGICIDES CYP1B1, CYP51A1, CYP1A2 TSHR 979/4885KCNA5 689/4885KCNH2 935/4885

“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.

Send feedback