SCHEMBL3571171

SCHEMBL3571171

CC(=O)Nc1ccc(C(=O)c2ccc3c(c2)CC(=O)N3)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 14/20 0.57
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CRBN Q96SW2 1/20 0.49
▸ HDAC3 O15379 1/20 0.47
▸ EPHX2 P34913 1/20 0.46

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
SCHEMBL3578410 0.90 CRBN (0.52) SMYD3POLBALDH1A1L3MBTL1CRBN
SCHEMBL3574898 0.89 SMYD3 (0.49) SMYD3POLBCRBNHDAC3EPHX2
SCHEMBL154971 0.86 SMYD3 (0.60) SMYD3POLBCRBNHDAC3
SCHEMBL26547572 0.86 SMYD3 (0.56) SMYD3POLBCRBNHDAC3
SCHEMBL3255662 0.80 SMYD3 (0.53) SMYD3ALDH1A1L3MBTL1EPHX2
SCHEMBL3569829 0.79 SMYD3 (0.55) SMYD3HDAC3EPHX2
SCHEMBL3581228 0.79 SMYD3 (0.55) SMYD3HDAC3EPHX2
SCHEMBL11461325 0.79 AHR (0.66) SMYD3HDAC3EPHX2
SCHEMBL3572611 0.79 CRBN (0.51) SMYD3POLBALDH1A1L3MBTL1CRBN
SCHEMBL11469106 0.78 GAA (0.50) SMYD3ALDH1A1EPHX2

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 SMYD3 3186/4885POLB 3520/4885ALDH1A1 2605/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 SMYD3 1968/4885POLB 1863/4885ALDH1A1 2379/4885

“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.

Send feedback