SCHEMBL8773472

SCHEMBL8773472

O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4ccnc4)cc3)cc2)cc1)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
ABL1 P00519 2/20 0.57
ROCK1 Q13464 1/20 0.56
KMT2A Q03164 2/20 0.56
CYP3A4 P08684 3/20 0.55
BAZ2B Q9UIF8 1/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RECQL P46063 1/20 0.53
RAB9A P51151 1/20 0.53
PORCN Q9H237 3/20 0.53
CYP2D6 P10635 2/20 0.53
PGR P06401 1/20 0.52
ADH5 P11766 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
SCHEMBL22661803 0.92 CYP3A4 (0.64) HTTABL1ROCK1KMT2ACYP3A4
SCHEMBL1666107 0.87 ROCK1 (0.60) HTTABL1ROCK1KMT2ACYP3A4
SCHEMBL8770808 0.87 ROCK1 (0.60) HTTABL1ROCK1KMT2ACYP3A4
SCHEMBL13315310 0.85 ROCK1 (0.57) HTTABL1ROCK1KMT2ACYP3A4
SCHEMBL3380451 0.85 MAPT (0.63) HTTABL1ROCK1KMT2ACYP3A4
SCHEMBL21940149 0.84 CYP3A4 (0.62) HTTCYP3A4BAZ2BLMNAALDH1A1
SCHEMBL364087 0.83 ADH5 (0.75) HTTCYP3A4BAZ2BALDH1A1MAPT
SCHEMBL16319319 0.82 HTT (0.56) HTTKMT2ACYP3A4BAZ2BLMNA
SCHEMBL21254474 0.82 KMT2A (0.57) HTTROCK1KMT2ACYP3A4BAZ2B
SCHEMBL10512975 0.81 LMNA (0.62) HTTKMT2ACYP3A4BAZ2BLMNA

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-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
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 HTT 1692/4885ABL1 194/4885ROCK1 1535/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF HTT 864/4885ABL1 26/4885ROCK1 1523/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF HTT 864/4885ABL1 26/4885ROCK1 1523/4885

“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.