SCHEMBL514397

SCHEMBL514397

CCc1[c]c(CC)cc(-c2ccsc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2E1 P05181 1/20 0.42
KCNH2 Q12809 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
GAK O14976 1/20 0.36
DRD2 P14416 2/20 0.36
HTR6 P50406 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ERN1 O75460 2/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL696796 0.74 CYP2A6 (0.48) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL512916 0.72 MAPT (0.46) PRMT6CYP17A1CYP11B1CYP3A4CYP2C9
SCHEMBL510173 0.71 ALDH1A1 (0.41)
SCHEMBL2125063 0.71 CYP2A6 (0.72) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL510261 0.69 RAB9A (0.36) ADORA3ADORA1
SCHEMBL5023933 0.69 CYP17A1 (0.56) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL24726656 0.69 PRMT6 (0.44) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL509857 0.68 AHR (0.45) CYP2A6KCNH2ADORA3ERN1CYP3A4
SCHEMBL10162041 0.68 PRMT6 (0.68) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL30340237 0.68 PRMT6 (0.68) CYP2A6CYP2B6CYP2E1KCNH2PRMT6

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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR CYP2A6 200/4885CYP2B6 106/4885CYP2E1 64/4885

“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.