SCHEMBL5728126

SCHEMBL5728126

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.64
TLK2 Q86UE8 1/20 0.55
AHR P35869 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
KIF11 P52732 1/20 0.49
LRRK2 Q5S007 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47

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
SCHEMBL27608681 0.89 SMYD3 (0.62) SMYD3TLK2AHRHDAC3HDAC4
SCHEMBL7533313 0.88 AHR (0.50) SMYD3TLK2AHR
SCHEMBL10366740 0.86 HDAC3 (0.61) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL29642948 0.86 SMYD3 (0.61) SMYD3TLK2AHRHDAC3HDAC4
SCHEMBL578342 0.86 SMYD3 (0.61) SMYD3TLK2AHRHDAC3HDAC4
SCHEMBL154971 0.84 SMYD3 (0.60) SMYD3TLK2AHRHDAC3HDAC4
SCHEMBL3171463 0.84 SMYD3 (0.60) SMYD3TLK2AHRHDAC3HDAC4
SCHEMBL19709975 0.84 SMYD3 (0.60) SMYD3TLK2AHRHDAC3HDAC4
SCHEMBL4577577 0.83 SMYD3 (0.59) SMYD3TLK2AHRHDAC3HDAC4
SCHEMBL18302934 0.82 SMYD3 (0.68) SMYD3TLK2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105563-B2 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-12 US disclosed
EP-1680401-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Schering Aktiengesellschaft (DE) 2006-07-19 EP disclosed
WO-2005040116-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-06 WO disclosed
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 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-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer PDK3, PDK2, PDK4 SMYD3 2632/4885TLK2 847/4885AHR 504/4885

“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.