SCHEMBL8769468

SCHEMBL8769468

COc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccc(N5CCCC5)cc4)nc3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
MAPT P10636 7/20 0.64
KMT2A Q03164 6/20 0.64
RAB9A P51151 4/20 0.64
NR4A1 P22736 1/20 0.64
MCL1 Q07820 1/20 0.64
CHEK2 O96017 1/20 0.59
COMT P21964 1/20 0.58
NPC1 O15118 3/20 0.53
MEN1 O00255 3/20 0.52
MCHR1 Q99705 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
QSOX1 O00391 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52

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
SCHEMBL8029820 1.00 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ARAB9ANR4A1
SCHEMBL8029822 0.93 CHEK2 (0.67) ALDH1A1MAPTKMT2ARAB9ANR4A1
SCHEMBL8768198 0.92 HPSE (0.58) ALDH1A1MAPTKMT2ARAB9AMCL1
SCHEMBL8769684 0.89 COMT (0.70) MAPTKMT2ARAB9ACHEK2COMT
SCHEMBL8768039 0.89 HPSE (0.54) ALDH1A1MAPTKMT2ARAB9AMCL1
SCHEMBL8772032 0.88 HPSE (0.61) ALDH1A1MAPTKMT2ARAB9AMCL1
SCHEMBL8772062 0.88 HPSE (0.53) ALDH1A1MAPTKMT2ARAB9AMCL1
SCHEMBL1664280 0.87 LRRK2 (0.56) ALDH1A1MAPTKMT2ARAB9ANR4A1
SCHEMBL8772013 0.87 HPSE (0.60) ALDH1A1MAPTKMT2ARAB9AMCL1
SCHEMBL8768027 0.86 COMT (0.61) ALDH1A1MAPTKMT2ARAB9ACHEK2

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 ALDH1A1 3228/4885MAPT 4622/4885KMT2A 2225/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885MAPT 4411/4885KMT2A 806/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885MAPT 4411/4885KMT2A 806/4885

“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.