SCHEMBL25006629

SCHEMBL25006629

CC(C)Cc1nnnn1I

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4411241 0.76 ALDH1A1 (0.39) CYP1A2TDP1CNR2ALDH1A1
SCHEMBL4407893 0.74 CNR2 (0.32) CYP1A2TDP1CNR2ALDH1A1
SCHEMBL4409241 0.74 CNR2 (0.32) CYP1A2TDP1CNR2ALDH1A1
SCHEMBL4413524 0.74 ALDH1A1 (0.50) CYP1A2TDP1CNR2ALDH1A1
SCHEMBL4408301 0.74 CNR2 (0.32) CYP1A2TDP1CNR2ALDH1A1
SCHEMBL4405716 0.72 ALDH1A1 (0.42) CYP1A2TDP1CNR2ALDH1A1
SCHEMBL4406055 0.72 CNR2 (0.51) CYP1A2TDP1CNR2ALDH1A1
SCHEMBL25005926 0.71
SCHEMBL4405753 0.71 ALDH1A1 (0.49) ALDH1A1
SCHEMBL4408120 0.69 ALDH1A1 (0.33) ALDH1A1

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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 CYP1A2 40/4885TDP1 4690/4885CNR2 130/4885

“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.