SCHEMBL1663026

SCHEMBL1663026

O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.69
POLB P06746 3/20 0.58
MITF O75030 2/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
USP2 O75604 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PSMB5 P28074 1/20 0.47

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
SCHEMBL8769706 0.89 RAB9A (0.58) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL21254928 0.83 RAB9A (0.55) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL1664311 0.83 KMT2A (0.55) MAPTPOLBMAPK1SMN1; SMN2KMT2A
SCHEMBL18745976 0.83 KMT2A (0.55) MAPTPOLBMAPK1SMN1; SMN2KMT2A
SCHEMBL1663377 0.82 HPGDS (0.55) MAPTPOLBMAPK1SMN1; SMN2KMT2A
SCHEMBL8770684 0.82 KMT2A (0.52) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL1663107 0.82 SMYD3 (0.55) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL1664469 0.81 RAB9A (0.58) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL1663677 0.81 NPC1 (0.56) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL21254499 0.81 RAB9A (0.50) MAPTMAPK1SMN1; SMN2KMT2AMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488486-B1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARM INC (US) 2019-08-14 EP disclosed
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 4622/4885POLB 3018/4885MITF 364/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885POLB 3224/4885MITF 452/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885POLB 3224/4885MITF 452/4885

“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.