SCHEMBL1663776

SCHEMBL1663776

O=Cc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 1/20 0.53
SMYD3 Q9H7B4 7/20 0.51
HDAC3 O15379 2/20 0.48
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
CRBN Q96SW2 2/20 0.46
LRRK2 Q5S007 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
MAP4K1 Q92918 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4415749 0.86 TLK2 (0.56) TLK2SMYD3HDAC3S1PR1S1PR3
SCHEMBL5842454 0.84 TLK2 (0.57) TLK2SMYD3HDAC3LRRK2MAP4K1
SCHEMBL26547572 0.84 SMYD3 (0.56) TLK2SMYD3HDAC3S1PR1S1PR3
SCHEMBL4405727 0.82 CRBN (0.65) TLK2SMYD3HDAC3S1PR1S1PR3
SCHEMBL23175704 0.82 LMNA (0.57) TLK2SMYD3HDAC3S1PR1S1PR3
SCHEMBL29899570 0.82 LMNA (0.57) TLK2SMYD3HDAC3S1PR1S1PR3
SCHEMBL26547582 0.81 CA1 (0.58) TLK2SMYD3HDAC3
SCHEMBL7717889 0.79 CRBN (0.60) TLK2SMYD3HDAC3S1PR1S1PR3
SCHEMBL578342 0.77 SMYD3 (0.61) TLK2SMYD3HDAC3S1PR1S1PR3
SCHEMBL29642948 0.77 SMYD3 (0.61) TLK2SMYD3HDAC3S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
CN-103282034-A Use of hematopoietic growth factor mimetics LIGAND PHARM INC 2013-09-04 CN disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL TLK2 3615/4885SMYD3 2302/4885HDAC3 4338/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF TLK2 1494/4885SMYD3 1128/4885HDAC3 3607/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF TLK2 1494/4885SMYD3 1128/4885HDAC3 3607/4885

“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.