SCHEMBL3581639

SCHEMBL3581639

NC(=O)c1cccc(C(=O)c2ccc3c(c2)NC(=O)C3)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 5/20 0.55
SMYD3 Q9H7B4 3/20 0.53
CRBN Q96SW2 2/20 0.51
AHR P35869 3/20 0.46
CMA1 P23946 2/20 0.46
EIF2AK2 P19525 1/20 0.45
PDK2 Q15119 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HSD11B1 P28845 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41

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
SCHEMBL3575509 0.90 SMYD3 (0.52) TDP2SMYD3AHRHDAC3
SCHEMBL3573876 0.90 SMYD3 (0.56) TDP2SMYD3CRBNAHRCMA1
SCHEMBL3194345 0.89 SMYD3 (0.58) TDP2SMYD3CRBNAHRCMA1
SCHEMBL30760741 0.89 SMYD3 (0.58) TDP2SMYD3CRBNAHRCMA1
Hydrochloric Acid SCHEMBL29528151 0.88 SMYD3 (0.57) TDP2SMYD3CRBNAHRCMA1
SCHEMBL3578248 0.87 SMYD3 (0.52) TDP2SMYD3CRBNAHRCMA1
SCHEMBL7679044 0.87 SMYD3 (0.53) TDP2SMYD3CRBNAHRCMA1
SCHEMBL29899565 0.84 TDP2 (0.72) TDP2SMYD3CRBNAHRCMA1
SCHEMBL4874148 0.83 SMYD3 (0.51) TDP2SMYD3CRBNAHRCMA1
SCHEMBL3573881 0.82 SMYD3 (0.55) TDP2SMYD3CRBNAHRCMA1

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
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 TDP2 1778/4885SMYD3 3186/4885CRBN 982/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 TDP2 1276/4885SMYD3 1968/4885CRBN 789/4885

“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.