SCHEMBL1663225

SCHEMBL1663225

CN(CCO)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.52
KMT2A Q03164 9/20 0.52
MAPT P10636 8/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.50
ATM Q13315 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.44
TNIK Q9UKE5 1/20 0.43
XBP1 P17861 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL1662975 0.85 MAPT (0.59) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL27937035 0.81 MAPT (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1665050 0.79 RAB9A (0.53) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1665798 0.78 MAPT (0.59) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6119890 0.77 MAPT (0.60) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1665808 0.76 MAPT (0.52) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1663381 0.76 RAB9A (0.59) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1663704 0.76 MEN1 (0.60) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1663554 0.76 PHGDH (0.59) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1665016 0.76 MAPT (0.56) MEN1KMT2AMAPTRAB9ANPC1

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
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN 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
CN-103282034-A Use of hematopoietic growth factor mimetics LIGAND PHARM INC 2013-09-04 CN disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
CN-102656141-A Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARM INC 2012-09-05 CN 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 MEN1 1370/4885KMT2A 2225/4885MAPT 4622/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MEN1 1395/4885KMT2A 806/4885MAPT 4411/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MEN1 1395/4885KMT2A 806/4885MAPT 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.