SCHEMBL13836714

SCHEMBL13836714

O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 4/20 0.49
RAB9A P51151 2/20 0.49
ROCK1 Q13464 1/20 0.48
HTT P42858 1/20 0.48
CYP3A4 P08684 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
EGFR P00533 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
ADH5 P11766 1/20 0.46
CYP4Z1 Q86W10 1/20 0.45
L3MBTL1 Q9Y468 1/20 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
SCHEMBL22661803 0.82 CYP3A4 (0.64) KMT2AMAPTROCK1HTTCYP3A4
SCHEMBL1663888 0.81 GAA (0.60) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL27807398 0.79 GRIA1 (0.49) KMT2AMEN1MAPTCYP3A4BAZ2B
SCHEMBL27868342 0.79 RXFP1 (0.61) KMT2AMEN1MAPTRAB9ACYP3A4
SCHEMBL8770808 0.79 ROCK1 (0.60) KMT2AMAPTROCK1HTTCYP3A4
SCHEMBL1666107 0.79 ROCK1 (0.60) KMT2AMEN1MAPTRAB9AROCK1
SCHEMBL1663324 0.77 SMN1; SMN2 (0.65) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL6119890 0.77 MAPT (0.60) KMT2AMEN1MAPTRAB9ATDP1
SCHEMBL13315310 0.76 ROCK1 (0.57) KMT2AMAPTROCK1HTTCYP3A4
SCHEMBL1663141 0.76 SMN1; SMN2 (0.67) KMT2AMEN1MAPTRAB9AHTT

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 5 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

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 KMT2A 2225/4885MEN1 1370/4885MAPT 4622/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KMT2A 806/4885MEN1 1395/4885MAPT 4411/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KMT2A 806/4885MEN1 1395/4885MAPT 4411/4885

“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.