SCHEMBL1663131

SCHEMBL1663131

O=[N+]([O-])c1ccc(OCc2ccccn2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.56
TLR2 O60603 1/20 0.56
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PARP10 Q53GL7 1/20 0.49
MGMT P16455 1/20 0.48
LMNA P02545 2/20 0.48
PPARG P37231 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
CTSB P07858 1/20 0.44
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL21617231 0.88 MAPT (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8308756 0.88 TLR4 (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5764164 0.88 TLR4 (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31504415 0.88 MAPT (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31504360 0.88 TLR4 (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21617211 0.88 TLR4 (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL810027 0.88 TLR4 (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10325829 0.85 TLR4 (0.57) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21617221 0.83 TLR4 (0.49) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31504374 0.83 TLR4 (0.49) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2

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
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
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 TLR4 2941/4885TLR2 2823/4885ALDH1A1 3228/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF TLR4 655/4885TLR2 638/4885ALDH1A1 2736/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF TLR4 655/4885TLR2 638/4885ALDH1A1 2736/4885

“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.