SCHEMBL21630397

SCHEMBL21630397

COc1ccc(Oc2cc[c]c(Cl)n2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
S1PR4 O95977 1/20 0.40
DYRK1A Q13627 1/20 0.40
HTR2A P28223 3/20 0.37
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
HPGD P15428 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PIK3CD O00329 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
SCHEMBL21630324 0.87 S1PR4 (0.42) SLC6A4SLC6A2SLC6A3S1PR4DYRK1A
SCHEMBL17513239 0.77 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3S1PR4DYRK1A
SCHEMBL491297 0.74
SCHEMBL4743283 0.74 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3S1PR4DYRK1A
SCHEMBL14082612 0.72 HPGD (0.47) SLC6A4SLC6A2SLC6A3S1PR4DYRK1A
SCHEMBL14082620 0.70 L3MBTL1 (0.54) SLC6A4SLC6A2SLC6A3DYRK1AMAPK8
SCHEMBL197088 0.70 CA12 (0.62) SLC6A4SLC6A2SLC6A3HTR2ACA12
SCHEMBL29587997 0.70 CA12 (0.62) SLC6A4SLC6A2SLC6A3HTR2ACA12
SCHEMBL8129366 0.70 ALDH1A1 (0.42) SLC6A4SLC6A2SLC6A3HPGDHSP90AA1
SCHEMBL3722275 0.70 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3S1PR4DYRK1A

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-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 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-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C SLC6A4 4526/4885SLC6A2 4858/4885SLC6A3 4662/4885

“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.