SCHEMBL1662721

SCHEMBL1662721

COc1ccc(Nc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.61
▸ MAPK1 P28482 5/20 0.61
▸ TDP1 Q9NUW8 5/20 0.61
▸ L3MBTL1 Q9Y468 4/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ GAA P10253 4/20 0.56
▸ HTT P42858 3/20 0.56
▸ IDO1 P14902 1/20 0.56
▸ RAB9A P51151 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ ALDH3A1 P30838 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ APEX1 P27695 1/20 0.52

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
SCHEMBL9651879 0.83 AR (0.54) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4930929 0.83 MAPT (0.68) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL1662886 0.81 ALDH1A1 (0.65) MAPTMAPK1ALDH1A1HTTRAB9A
SCHEMBL1663559 0.80 ALOX5 (0.64) MAPTMAPK1ALDH1A1GAARAB9A
SCHEMBL1195949 0.80 MAPT (0.68) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL1165640 0.78 AKR1C3 (0.63) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL27804553 0.78 MAPK1 (0.52) MAPTMAPK1L3MBTL1ALDH1A1GAA
SCHEMBL1663978 0.78 ALDH1A1 (0.54) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4744863 0.78 MAPT (0.64) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL8938805 0.78 MAPT (0.61) MAPTMAPK1TDP1L3MBTL1ALDH1A1

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 4622/4885MAPK1 4003/4885TDP1 4799/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885MAPK1 1482/4885TDP1 4089/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885MAPK1 1482/4885TDP1 4089/4885

“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.

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