SCHEMBL25758752

SCHEMBL25758752

C=C(NC(C)C)OC/C=C/c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.46
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
CACNA1B Q00975 3/20 0.40
RELA Q04206 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
CHAT P28329 1/20 0.38
NFE2L2 Q16236 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL25764879 0.85 KCNA3 (0.52) KCNA3GRIK1GRIK2CACNA1BCYP1A2
SCHEMBL25759188 0.83 GRIK1 (0.42) KCNA3GRIK1GRIK2CACNA1BRELA
SCHEMBL28812386 0.79 CYP1A2 (0.50) KCNA3GRIK1GRIK2CACNA1BRELA
SCHEMBL25765199 0.79 CYP1A2 (0.50) KCNA3GRIK1GRIK2CACNA1BRELA
SCHEMBL24019968 0.77 CACNA1B (0.44) KCNA3GRIK1GRIK2CACNA1BCYP1A2
SCHEMBL27713542 0.76 CACNA1B (0.48) GRIK1GRIK2CACNA1BRELACYP1A2
SCHEMBL9997659 0.75 CYP1A2 (0.53) GRIK1GRIK2CACNA1BRELACYP1A2
SCHEMBL9997657 0.75 CYP1A2 (0.53) GRIK1GRIK2CACNA1BRELACYP1A2
SCHEMBL28462959 0.75 CYP1A2 (0.56) GRIK1GRIK2CACNA1BCYP1A2CYP2C9
SCHEMBL24112747 0.75 CYP1A2 (0.49) GRIK1GRIK2CACNA1BRELACYP1A2

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV KCNA3 3755/4885GRIK1 4299/4885GRIK2 4003/4885

“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.