SCHEMBL20125239

SCHEMBL20125239

CN(Cl)CCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
ALDH1A1 P00352 4/20 0.51
RECQL P46063 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
CYP2C9 P11712 1/20 0.44
ATM Q13315 1/20 0.42
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD3 P35462 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL4104400 0.86 GAA (0.62) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL31208305 0.86 GAA (0.62) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL3485810 0.80 GAA (0.59) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL22326350 0.80 GAA (0.88) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL4917285 0.80 GAA (0.54) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL1671882 0.80 GAA (0.54) GAAALDH1A1RECQLMEN1KMT2A
Hydrochloric Acid SCHEMBL3485772 0.79 GAA (0.57) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL10601228 0.78 MAOB (0.62) GAAALDH1A1SMN1; SMN2MAOB
SCHEMBL7969176 0.77 GAA (0.69) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL6625137 0.77 GAA (0.69) GAAALDH1A1RECQLMEN1KMT2A

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-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 US disclosed
EP-3318567-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL Shionogi & Co., Ltd (JP) 2018-05-09 EP 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-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SULT1E1, ABCC5, ABCC4 GAA 3025/4885ALDH1A1 2855/4885RECQL 652/4885

“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.