SCHEMBL21970992

SCHEMBL21970992

CCC(C)(CC)c1cccnc1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.42
NFE2L2 Q16236 4/20 0.41
APLNR P35414 1/20 0.40
SLC13A5 Q86YT5 1/20 0.37
BTK Q06187 1/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PLCG1 P19174 1/20 0.35
KDM1A O60341 3/20 0.34
MAOA P21397 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
MAOB P27338 1/20 0.34
P2RY1 P47900 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL18869514 0.86 SLC22A12 (0.42) SLC22A12NFE2L2APLNRSLC13A5BTK
SCHEMBL22624032 0.83 P2RY1 (0.39) SLC22A12NFE2L2APLNRSLC13A5BTK
SCHEMBL22375253 0.81 P2RY1 (0.37) SLC22A12NFE2L2APLNRSLC13A5P2RY1
SCHEMBL77689 0.81 SLC22A12 (0.46) SLC22A12NFE2L2APLNRBTKPLCG1
SCHEMBL22375313 0.80 P2RY1 (0.37) SLC22A12NFE2L2APLNRSLC13A5P2RY1
SCHEMBL11972428 0.78 APLNR (0.46) SLC22A12NFE2L2APLNRSLC13A5BTK
SCHEMBL322870 0.76 SLC22A12 (0.55) SLC22A12NFE2L2APLNRSLC6A2SLC6A4
SCHEMBL19388381 0.76 P2RX7 (0.37) PLCG1
SCHEMBL30440802 0.76 SLC22A12 (0.55) SLC22A12NFE2L2APLNRSLC6A2SLC6A4
SCHEMBL25407823 0.74 SLC22A12 (0.47) SLC22A12NFE2L2APLNRSLC13A5BTK

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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
EP-3439477-B1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 SLC22A12 4388/4885NFE2L2 3308/4885APLNR 1909/4885

“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.