SCHEMBL1663093

SCHEMBL1663093

O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(N2CCSCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.55
THRB P10828 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 7/20 0.50
MEN1 O00255 5/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
BCL2L2 Q92843 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL1663324 0.89 SMN1; SMN2 (0.65) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1663141 0.88 SMN1; SMN2 (0.67) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1662933 0.87 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1663555 0.86 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1663264 0.86 ALDH1A1 (0.69) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1663717 0.81 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1662923 0.80 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1663092 0.80 KMT2A (0.56) MAPTTHRBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6119890 0.77 MAPT (0.60) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1663259 0.76 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1

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 4622/4885THRB 1939/4885SMN1; SMN2 3850/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885THRB 1572/4885SMN1; SMN2 941/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885THRB 1572/4885SMN1; SMN2 941/4885

“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.