SCHEMBL1667229

SCHEMBL1667229

Nc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cn(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HTR6 P50406 12/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.44
HTR7 P34969 3/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR1A P08908 2/20 0.43
NOD1 Q9Y239 1/20 0.41
PTGS2 P35354 2/20 0.41

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
SCHEMBL13836679 0.88 HTR6 (0.63) CA12CA9CA1CA2HTR6
SCHEMBL14406219 0.86 HTR6 (0.72) CA12CA9CA1CA2MEN1
SCHEMBL1632297 0.82 HTR6 (0.50) CA12CA9CA1CA2MEN1
SCHEMBL21222635 0.77 HTR6 (0.55) CA12CA9CA1CA2MEN1
SCHEMBL22777950 0.77 PDPK1 (0.49) CA12CA9CA1CA2MEN1
SCHEMBL29714399 0.77 PDPK1 (0.49) CA12CA9CA1CA2MEN1
SCHEMBL1630765 0.76 HTR6 (0.44) CA12CA9CA1CA2MEN1
SCHEMBL14406229 0.75 HTR6 (0.59) CA12CA9CA1CA2MEN1
SCHEMBL21222331 0.75 HTR6 (0.53) HTR6L3MBTL1HTR7DRD2HTR2A
SCHEMBL14548931 0.74 HTR6 (0.53) MEN1LMNAPKMHPGDKMT2A

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 CA12 2929/4885CA9 4602/4885CA1 4296/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CA12 3841/4885CA9 4689/4885CA1 4228/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CA12 3841/4885CA9 4689/4885CA1 4228/4885

“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.