SCHEMBL1663744

SCHEMBL1663744

O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
HTT P42858 3/20 0.59
CYP1A2 P05177 2/20 0.59
LMNA P02545 2/20 0.59
CYP2C19 P33261 1/20 0.59
KCNQ3 O43525 1/20 0.59
KCNQ2 O43526 1/20 0.59
STAT3 P40763 1/20 0.57
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL1662933 0.85 MAPT (0.72) MAPTSMN1; SMN2HTTLMNARAB9A
SCHEMBL8769978 0.81 MAPT (0.70) MAPTSMN1; SMN2HTTCYP1A2LMNA
SCHEMBL1662923 0.80 MAPT (0.72) MAPTSMN1; SMN2HTTLMNARAB9A
SCHEMBL4247068 0.80 MAPT (0.62) MAPTSMN1; SMN2HTTCYP1A2LMNA
SCHEMBL4737529 0.79 KCNQ3 (0.73) MAPTSMN1; SMN2HTTCYP1A2LMNA
SCHEMBL4247738 0.79 MAPT (0.86) MAPTSMN1; SMN2HTTCYP1A2LMNA
SCHEMBL4251030 0.79 MAPT (0.86) MAPTSMN1; SMN2HTTCYP1A2LMNA
SCHEMBL4250152 0.78 MAPT (0.73) MAPTSMN1; SMN2HTTCYP1A2LMNA
SCHEMBL2302891 0.78 MAPT (0.66) MAPTSMN1; SMN2HTTCYP1A2LMNA
SCHEMBL4257469 0.78 KCNQ3 (0.65) MAPTSMN1; SMN2HTTCYP1A2LMNA

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 9 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
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP 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 MAPT 4622/4885SMN1; SMN2 3850/4885HTT 1692/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885SMN1; SMN2 941/4885HTT 864/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885SMN1; SMN2 941/4885HTT 864/4885

“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.