SCHEMBL578342

SCHEMBL578342

O=C(O)Nc1ccc2c(c1)CC(=O)N2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.61
TLK2 Q86UE8 1/20 0.56
AHR P35869 1/20 0.51
LRRK2 Q5S007 1/20 0.51
GRIN1 Q05586 2/20 0.50
GRIN2B Q13224 2/20 0.50
KIF11 P52732 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
MAPKAPK2 P49137 1/20 0.48

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
SCHEMBL29642948 1.00 SMYD3 (0.61) SMYD3TLK2AHRLRRK2GRIN1
SCHEMBL4577577 0.88 SMYD3 (0.59) SMYD3TLK2AHRLRRK2GRIN1
SCHEMBL154971 0.86 SMYD3 (0.60) SMYD3TLK2AHRLRRK2GRIN1
SCHEMBL5728126 0.86 SMYD3 (0.64) SMYD3TLK2AHRLRRK2GRIN1
SCHEMBL3171463 0.86 SMYD3 (0.60) SMYD3TLK2AHRLRRK2GRIN1
SCHEMBL18302945 0.84 SMYD3 (0.53) SMYD3TLK2LRRK2GRIN1GRIN2B
SCHEMBL27608681 0.84 SMYD3 (0.62) SMYD3TLK2AHRLRRK2GRIN1
SCHEMBL5842454 0.84 TLK2 (0.57) SMYD3TLK2LRRK2HDAC3
SCHEMBL22425056 0.84 GRIN2D (0.56) SMYD3TLK2AHRLRRK2GRIN1
SCHEMBL19692229 0.83 HDAC3 (0.54) SMYD3TLK2LRRK2GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1817310-A1 (SPIROCYCLYLAMIDO) AMINOTHIOPHENE COMPOUNDS AS C-KIT PROTO-ONCOGENE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-08-15 EP disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
WO-2006034015-A1 (SPIROCYCLYLAMIDO) AMINOTHIOPHENE COMPOUNDS AS C-KIT PROTO- ONCOGENE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO disclosed
US-20060063791-A1 (Spirocyclylamido)aminothiophene compounds OSI PHARMACEUTICALS, INC. 2006-03-23 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 (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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 SMYD3 383/4885TLK2 4870/4885AHR 27/4885
US-20060063791-A1 (Spirocyclylamido)aminothiophene compounds KIT, BRDT, MALT1 SMYD3 1453/4885TLK2 571/4885AHR 1207/4885

“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.