SCHEMBL13836635

SCHEMBL13836635

O=C(Nc1ccc2c(ccn2-c2ccc(C(=O)NC3CC3)cc2)c1)c1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.44
HTR2A P28223 5/20 0.43
DRD3 P35462 5/20 0.43
DRD2 P14416 3/20 0.43
HPGDS O60760 1/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
BRD4 O60885 2/20 0.41
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
ALDH1A1 P00352 1/20 0.40
JAK3 P52333 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
NPC1 O15118 1/20 0.40
EPHX2 P34913 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39

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
SCHEMBL13836637 0.93 SMYD3 (0.44) SMYD3HPGDSRAB9AMAPTBRD4
SCHEMBL1666853 0.93 BRD4 (0.45) SMYD3HTR2ADRD3DRD2HPGDS
SCHEMBL1664406 0.90 NPC1 (0.53) HPGDSRAB9ABRD4KDRFLT3
SCHEMBL1666784 0.89 SMYD3 (0.46) SMYD3HPGDSRAB9AMAPTBRD4
SCHEMBL1666855 0.85 BRD4 (0.47) SMYD3HTR2ADRD3DRD2HPGDS
SCHEMBL1667322 0.84 HPGDS (0.48) SMYD3HPGDSRAB9AMAPTKDM4E
SCHEMBL1664403 0.82 BRD4 (0.57) SMYD3HTR2ADRD3DRD2HPGDS
SCHEMBL1664450 0.81 SMYD3 (0.43) SMYD3HTR2ADRD3DRD2HPGDS
SCHEMBL1663977 0.81 SMYD3 (0.39) SMYD3HPGDSRAB9AMAPTBRD4
SCHEMBL1666783 0.81 SMYD3 (0.46) SMYD3HPGDSRAB9AMAPTBRD4

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-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-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-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
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 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 (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 SMYD3 2302/4885HTR2A 4409/4885DRD3 4713/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF SMYD3 1128/4885HTR2A 2334/4885DRD3 4678/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF SMYD3 1128/4885HTR2A 2334/4885DRD3 4678/4885

“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.