SCHEMBL26054532

SCHEMBL26054532

CC(C)(C)C(=O)c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
SLC6A4 P31645 11/20 0.44
IDO1 P14902 1/20 0.42
HTR6 P50406 2/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL6879221 0.84 PBRM1 (0.54) L3MBTL1SLC6A4IDO1HTR6F7
SCHEMBL1434181 0.83 F7 (0.58) SLC6A4IDO1HTR6F7F3
SCHEMBL6631032 0.82 GABRA1 (0.48) L3MBTL1SLC6A4IDO1
SCHEMBL3631475 0.81 ALDH1A1 (0.54) L3MBTL1SLC6A4IDO1HTR6F7
SCHEMBL9937045 0.80 NR4A2 (0.65) SLC6A4
SCHEMBL7464145 0.79 SLC6A4 (0.49) SLC6A4HTR6SLC6A2SLC6A3HTR1A
SCHEMBL7386532 0.78 IDO1 (0.43) L3MBTL1SLC6A4IDO1HTR6F7
SCHEMBL12782163 0.78 F7 (0.45) SLC6A4IDO1HTR6F7F3
SCHEMBL8808423 0.78 LMNA (0.62) SLC6A4IDO1HTR6F7F3
SCHEMBL2076915 0.78 IDO1 (0.46) SLC6A4IDO1HTR6SLC6A2SLC6A3

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-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 L3MBTL1 487/4885SLC6A4 4588/4885IDO1 2453/4885

“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.