SCHEMBL4882411

SCHEMBL4882411

CC1CCN(C(=O)Oc2nsc3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
TP53 P04637 4/20 0.52
MAPT P10636 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
DRD3 P35462 1/20 0.46
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL4703574 0.83 TP53 (0.45) GAATP53MAPTMEN1KMT2A
SCHEMBL4885142 0.82 ALDH1A1 (0.54) GAATP53MAPTMEN1KMT2A
SCHEMBL1573600 0.78 RAB9A (0.58) GAATP53MAPTMEN1KMT2A
SCHEMBL1573876 0.78 GAA (0.56) GAATP53MEN1KMT2AALDH1A1
SCHEMBL10983447 0.73 GAA (0.53) GAAMEN1KMT2ANPSR1HTR1A
SCHEMBL17948333 0.73 HTR1A (0.49) HTR1ADRD2HTR2ADRD3KDM4E
SCHEMBL470967 0.72 GAA (1.00) GAATP53MEN1KMT2AALDH1A1
SCHEMBL4886065 0.70 KMT2A (0.54) GAATP53MAPTMEN1KMT2A
SCHEMBL21633611 0.70 GPR119 (0.49) GAAMAPTMEN1KMT2AHTR1A
SCHEMBL1573909 0.70 KMT2A (0.54) GAATP53MEN1KMT2AALDH1A1

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-8921404-B2 Azole derivatives in the form of lipase and phospholipase inhibitors SANOFI (FR) 2014-12-30 US disclosed
US-20080090867-A1 Antidiabetic agents; compounds have insulin-like effect; optionally ring C4-7 aza-substituted 3-substituted benzisoxazoles or benzisothiazoles; 1-(2-Methylbenzyl)-3-(5-nitrobenzo[d]isothiazol-3-yl)urea for example SANOFI-AVENTIS (FR) 2008-04-17 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-20080090867-A1 Antidiabetic agents; compounds have insulin-like effect; optionally ring C4-7 aza-substituted 3-substituted benzisoxazoles or benzisothiazoles; 1-(2-Methylbenzyl)-3-(5-nitrobenzo[d]isothiazol-3-yl)urea for example FABP4, GPR119, LIPE GAA 407/4885TP53 4127/4885MAPT 4606/4885

“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.