SCHEMBL8769025

SCHEMBL8769025

O=C(Nc1ccc2[nH]c(-c3ccc(C(=O)NC4CC4)cc3)nc2c1)c1ccc(N2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.53
KDM4E B2RXH2 3/20 0.50
HPSE Q9Y251 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
PRSS12 P56730 1/20 0.49
FLT3 P36888 4/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
KMT2A Q03164 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45

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
SCHEMBL6119120 0.93 KDM4E (0.49) SMYD3KDM4EHPSEALDH1A1HPGD
SCHEMBL8768198 0.92 HPSE (0.58) KDM4EHPSEALDH1A1HPGDSIRT2
SCHEMBL13836785 0.89 KDM4E (0.47) SMYD3KDM4EHPSEALDH1A1HPGD
SCHEMBL8768039 0.89 HPSE (0.54) KDM4EHPSEALDH1A1HPGDPRSS12
SCHEMBL8772062 0.88 HPSE (0.53) KDM4EHPSEALDH1A1HPGDSIRT2
SCHEMBL8772032 0.88 HPSE (0.61) KDM4EHPSEALDH1A1HPGDPRSS12
SCHEMBL8772013 0.87 HPSE (0.60) KDM4EHPSEALDH1A1HPGDMMP2
SCHEMBL8768255 0.86 KDM4E (0.49) KDM4EHPSEALDH1A1HPGDFLT3
SCHEMBL8767574 0.86 HPSE (0.53) KDM4EHPSEALDH1A1HPGDSIRT2
SCHEMBL8770691 0.85 NPC1 (0.60) KDM4EHPSEALDH1A1HPGDMMP2

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 12 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
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 SMYD3 2302/4885KDM4E 3484/4885HPSE 354/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF SMYD3 1128/4885KDM4E 1944/4885HPSE 635/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF SMYD3 1128/4885KDM4E 1944/4885HPSE 635/4885

“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.