SCHEMBL25337283

SCHEMBL25337283

CN(C)C=CC(=O)c1ccc(N(C(=O)O)C(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALOX12 P18054 1/20 0.46
ALDH1A1 P00352 9/20 0.46
HTT P42858 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.44
RECQL P46063 2/20 0.42
RAB9A P51151 4/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.37

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
SCHEMBL25337277 1.00 MAPT (0.46) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL31118999 0.94 MAPT (0.49) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL25981191 0.94 MAPT (0.49) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL25338219 0.82 ESRRA (0.41)
SCHEMBL18690489 0.75 AAK1 (0.39) MAPTALDH1A1HTTLMNAPOLB
SCHEMBL25981190 0.75 ESRRA (0.43) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL6624771 0.73 MAPT (0.59) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL8837891 0.73 MAPT (0.67) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL8837893 0.73 MAPT (0.67) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL8161148 0.72 MAPT (0.54) MAPTHPGDCYP1A2CYP2C19ALOX12

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-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
WO-2023150197-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2023-08-10 WO 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-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 MAPT 1282/4885HPGD 404/4885CYP1A2 86/4885

“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.