SCHEMBL2500577

SCHEMBL2500577

CN(C)c1ccccc1CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AR P10275 1/20 0.39
BRD4 O60885 1/20 0.38
TACR1 P25103 2/20 0.38
CHEK1 O14757 1/20 0.37
NEK2 P51955 1/20 0.37
LIMK1 P53667 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
KCNQ2 O43526 1/20 0.36
ICMT O60725 1/20 0.36

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
SCHEMBL3329126 0.82 GAA (0.48) GAAALDH1A1TP53MAPTTSHR
SCHEMBL2558366 0.82 AKR1B1 (0.55) GAAALDH1A1TP53MAPTTSHR
SCHEMBL6180344 0.81 ALDH1A1 (0.44) GAAALDH1A1TP53MAPTTSHR
SCHEMBL28215681 0.79 ALDH1A1 (0.46) GAAALDH1A1TP53MAPTTSHR
SCHEMBL18248549 0.79 MAPT (0.42) GAAALDH1A1TP53MAPTTSHR
SCHEMBL10339218 0.79 AKR1B1 (0.46) GAAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL6639953 0.78 KDM4E (0.44) GAAALDH1A1TP53MAPTTSHR
SCHEMBL27843772 0.78 KMT2A (0.49) GAAALDH1A1TP53MAPTTSHR
Benzene SCHEMBL15265833 0.77 AKR1B1 (0.50) GAAMAPTTSHRSMN1; SMN2NPSR1
SCHEMBL31484771 0.77 ICMT (0.41) GAAALDH1A1MAPTICMTCA2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO claimed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO disclosed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP disclosed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 GAA 3124/4885ALDH1A1 2628/4885TP53 470/4885

“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.