SCHEMBL3578248

SCHEMBL3578248

Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.52
PBRM1 Q86U86 1/20 0.51
CRBN Q96SW2 3/20 0.50
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
TDP2 O95551 4/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
AHR P35869 3/20 0.45
CMA1 P23946 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
EIF2AK2 P19525 1/20 0.44
PDK2 Q15119 1/20 0.42
DDB1 Q16531 1/20 0.41
HSD11B1 P28845 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL3574586 0.89 SMYD3 (0.52) SMYD3PBRM1NPC1MITFLMNA
SCHEMBL3581639 0.87 TDP2 (0.55) SMYD3CRBNTDP2AHRCMA1
SCHEMBL3573881 0.87 SMYD3 (0.55) SMYD3CRBNTDP2CA9AHR
SCHEMBL7679044 0.85 SMYD3 (0.53) SMYD3CRBNTDP2AHRCMA1
SCHEMBL3573876 0.82 SMYD3 (0.56) SMYD3CRBNTDP2AHRCMA1
SCHEMBL4874161 0.80 SMYD3 (0.51) SMYD3CRBNTDP2CA9CA1
SCHEMBL3194345 0.79 SMYD3 (0.58) SMYD3CRBNTDP2AHRCMA1
SCHEMBL30760741 0.79 SMYD3 (0.58) SMYD3CRBNTDP2AHRCMA1
SCHEMBL3572611 0.78 CRBN (0.51) SMYD3CRBNNPC1LMNAPOLB
SCHEMBL3575509 0.78 SMYD3 (0.52) SMYD3TDP2AHRHDAC3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455529-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455529-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20110319460-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-20110319460-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-8034957-B2 Kinase inhibitors ALLERGAN, INC. (US) 2011-10-11 US disclosed
US-8034957-B2 Kinase inhibitors ALLERGAN, INC. (US) 2011-10-11 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-20100168199-A1 Kinase Inhibitors ALLENGAN, INC. (US) 2010-07-01 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 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
WO-2008022013-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2008-02-21 WO disclosed
WO-2008022013-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2008-02-21 WO disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US 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
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 (4 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-20100168199-A1 Kinase Inhibitors ABL1, LCK, ERBB2 SMYD3 1968/4885PBRM1 1187/4885CRBN 789/4885
US-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 SMYD3 3186/4885PBRM1 2011/4885CRBN 982/4885
US-20110319460-A1 KINASE INHIBITORS ABL1, LCK, ERBB2 SMYD3 1968/4885PBRM1 1187/4885CRBN 789/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 SMYD3 1968/4885PBRM1 1187/4885CRBN 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.