Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL1663962

N.Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.82
MAPT P10636 5/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.60
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
ESR1 P03372 2/20 0.55
CYP19A1 P11511 2/20 0.55
ESR2 Q92731 2/20 0.55
APP P05067 1/20 0.52
PKM P14618 1/20 0.51
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL9650808 0.98 ALDH1A1 (0.86) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL595873 0.98 ALDH1A1 (0.86) ALDH1A1MAPTKMT2AMEN1LMNA
4-Nitroaniline SCHEMBL28786723 0.93 ALDH1A1 (0.95) ALDH1A1MAPTKMT2AMEN1LMNA
4-Nitroaniline SCHEMBL16451 0.91 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AMEN1LMNA
4-Nitroaniline SCHEMBL13529022 0.91 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9065915 0.91 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AMEN1LMNA
4-Nitroaniline SCHEMBL27963818 0.91 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AMEN1LMNA
Biphenyl-4-Amine SCHEMBL27950706 0.90 ALDH1A1 (0.72) ALDH1A1MAPTKMT2AMEN1LMNA
4-Nitroaniline SCHEMBL7158084 0.88 ALDH1A1 (0.95) ALDH1A1MAPTKMT2AMEN1LMNA
4-Nitroaniline SCHEMBL21825602 0.88 ALDH1A1 (0.95) ALDH1A1MAPTKMT2AMEN1LMNA

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 ALDH1A1 3228/4885MAPT 4622/4885KMT2A 2225/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885MAPT 4411/4885KMT2A 806/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885MAPT 4411/4885KMT2A 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.