SCHEMBL2912293

SCHEMBL2912293

CS(=O)(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 1/20 0.66
MET P08581 2/20 0.64
NPC1 O15118 6/20 0.58
POLB P06746 3/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PABPC1 P11940 1/20 0.51
RAB9A P51151 4/20 0.51
NAMPT P43490 1/20 0.51
HTT P42858 3/20 0.50
ALOX15 P16050 2/20 0.50
GLO1 Q04760 1/20 0.50
PLK1 P53350 1/20 0.48
BRAF P15056 1/20 0.47
NR3C1 P04150 1/20 0.47
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL27700676 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNAMETNPC1
SCHEMBL21104475 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAMETNPC1
SCHEMBL6985862 0.80 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2LMNANPC1POLB
SCHEMBL6978649 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2LMNANPC1POLB
SCHEMBL6984890 0.79 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNANPC1POLB
SCHEMBL6978659 0.79 BRAF (0.57) ALDH1A1SMN1; SMN2LMNAMETNPC1
SCHEMBL17442655 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAMETNPC1
SCHEMBL6979083 0.78 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL6089373 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNANPC1POLB
SCHEMBL3155590 0.78 NPC1 (0.62) ALDH1A1SMN1; SMN2LMNANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687493-B2 Product, method and intermediates for the preparation of azetidine derivatives AVENTIS PHARMA SA (FR) 2010-03-30 US claimed
US-20070270463-A1 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2007-11-22 US claimed
EP-1805167-A2 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES Aventis Pharma S.A. (FR) 2007-07-11 EP claimed
WO-2006040465-A2 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2006-04-20 WO claimed
EP-1263722-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 EP disclosed
US-7687493-B2 Product, method and intermediates for the preparation of azetidine derivatives AVENTIS PHARMA SA (FR) 2010-03-30 US disclosed
US-20070270463-A1 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2007-11-22 US disclosed
EP-1805167-A2 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES Aventis Pharma S.A. (FR) 2007-07-11 EP disclosed
WO-2006040465-A2 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2006-04-20 WO disclosed
CN-1418192-A Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2003-05-14 CN disclosed
EP-1263722-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
US-6355631-B1 TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA AVENTIS PHARMA S.A. (FR) 2002-03-12 US disclosed
WO-2001064634-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 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-20070270463-A1 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES QDPR, AZI2, NISCH ALDH1A1 1155/4885SMN1; SMN2 3211/4885LMNA 3957/4885

“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.