SCHEMBL3901588

SCHEMBL3901588

CCOC(=O)C(C#N)=C(C)c1ccccc1NC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
DHODH Q02127 2/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 8/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 6/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL1553942 0.82 GAA (0.47) GAADHODHRAB9ASMN1; SMN2NPC1
SCHEMBL1553941 0.82 GAA (0.47) GAADHODHRAB9ASMN1; SMN2NPC1
SCHEMBL1553437 0.80 GABRA1 (0.44) GAARAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1553436 0.80 GABRA1 (0.44) GAARAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1554328 0.79 SMN1; SMN2 (0.52) GAARAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL1554326 0.79 SMN1; SMN2 (0.52) GAARAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL1553821 0.78 MAPT (0.47) DHODHRAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL5525906 0.78 CASP3 (0.64) RAB9ANPSR1ALDH1A1KMT2AMEN1
SCHEMBL3898380 0.77 DHODH (0.48) DHODHRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1553340 0.76 MAPT (0.50) GAADHODHRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 US disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 US disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 US disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 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 (2 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-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE GAA 186/4885DHODH 318/4885RAB9A 1503/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE GAA 186/4885DHODH 318/4885RAB9A 1503/4885

“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.