SCHEMBL1663522

SCHEMBL1663522

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.54
▸ ALDH3A1 P30838 1/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ BAZ1A Q9NRL2 1/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ CA9 Q16790 1/20 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
SCHEMBL31361989 0.81 MAPT (0.72) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL1662975 0.80 MAPT (0.59) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL11726706 0.80 RAB9A (0.68) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL8778029 0.79 ALDH3A1 (0.48) MAPTALDH3A1KMT2ANPC1RAB9A
SCHEMBL27804553 0.78 MAPK1 (0.52) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL2327571 0.78 ALDH3A1 (0.53) MAPTALDH3A1KMT2ANPC1RAB9A
SCHEMBL1662721 0.77 MAPT (0.61) MAPTALDH3A1KMT2ANPC1RAB9A
SCHEMBL1665798 0.77 MAPT (0.59) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL10437442 0.76 CTSV (0.52) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL2334210 0.76 MAPT (0.55) MAPTALDH3A1KMT2ANPC1RAB9A

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 4622/4885ALDH3A1 3296/4885KMT2A 2225/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885ALDH3A1 3690/4885KMT2A 806/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885ALDH3A1 3690/4885KMT2A 806/4885

“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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