SCHEMBL9287752

SCHEMBL9287752

COc1cc(C)ccc1-c1cncs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.52
IMPDH1 P20839 1/20 0.52
AAK1 Q2M2I8 1/20 0.49
ACHE P22303 1/20 0.44
PDE7A Q13946 2/20 0.41
PDE3A Q14432 2/20 0.41
PDE10A Q9Y233 2/20 0.41
LRRK2 Q5S007 1/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
BDKRB2 P30411 1/20 0.36
ABL1 P00519 1/20 0.36
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
CRHR1 P34998 1/20 0.35
CD38 P28907 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 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
SCHEMBL13993859 0.87 ACHE (0.44) IMPDH2IMPDH1AAK1ACHEPDE7A
SCHEMBL4098953 0.83 IMPDH2 (0.52) IMPDH2IMPDH1AAK1PDE7APDE3A
SCHEMBL9261659 0.80 AAK1 (0.52) IMPDH2IMPDH1AAK1PDE7APDE3A
SCHEMBL27404970 0.80 PDE7A (0.51) IMPDH2IMPDH1AAK1PDE7APDE3A
SCHEMBL3404541 0.77 HTT (0.50) IMPDH2IMPDH1AAK1ALDH1A1HPGD
SCHEMBL23493621 0.77 IMPDH2 (0.37) IMPDH2IMPDH1ABL1CD38
SCHEMBL27602081 0.75 IMPDH2 (0.44) IMPDH2IMPDH1AAK1PDE7APDE3A
SCHEMBL14518590 0.75 IMPDH2 (0.71) IMPDH2IMPDH1AAK1ALDH1A1ABL1
SCHEMBL9938324 0.74 ACHE (0.68) ACHEALDH1A1CYP3A4CYP1A1CYP1B1
SCHEMBL13993868 0.73 IDO1 (0.54) IMPDH2ALDH1A1CD38USP2HPGD

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP IMPDH2 4244/4885IMPDH1 3881/4885AAK1 4289/4885

“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.