SCHEMBL492620

SCHEMBL492620

CCOC(=O)C(C(C)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
MAPK1 P28482 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 7/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.48
MITF O75030 1/20 0.46
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL8443380 0.93 MAPT (0.54) MAPTMAPK1SMN1; SMN2TDP1LMNA
SCHEMBL28430788 0.89 ALDH1A1 (0.57) MAPTMAPK1SMN1; SMN2TDP1LMNA
SCHEMBL18795102 0.86 ALDH1A1 (0.44) MAPTMAPK1SMN1; SMN2TDP1LMNA
SCHEMBL14948487 0.86 ALDH1A1 (0.44) MAPTMAPK1SMN1; SMN2TDP1LMNA
SCHEMBL30080552 0.85 MAPT (0.54) MAPTMAPK1SMN1; SMN2TDP1LMNA
SCHEMBL546884 0.85 MAPT (0.54) MAPTMAPK1SMN1; SMN2TDP1LMNA
SCHEMBL9080764 0.85 TP53 (0.49) MAPTMAPK1SMN1; SMN2TDP1LMNA
SCHEMBL8878469 0.83 MAPT (0.52) MAPTMAPK1SMN1; SMN2TDP1LMNA
SCHEMBL3582306 0.81 MAPT (0.52) MAPTMAPK1SMN1; SMN2TDP1LMNA
SCHEMBL1625485 0.81 ALDH1A1 (0.51) MAPTMAPK1SMN1; SMN2TDP1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484484-B 2, 4-diaryl aminopyrimidine derivative containing aromatic heterocycle and preparation and application thereof 沈阳药科大学 2021-11-23 CN disclosed
CN-111484484-A 2, 4-diaryl aminopyrimidine derivative containing aromatic heterocycle and preparation and application thereof 沈阳药科大学 2020-08-04 CN disclosed
US-8273891-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-25 US disclosed
US-8106066-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-01-31 US disclosed
US-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF SCHUMACHER RICHARD 2010-06-03 US disclosed
EP-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2007-04-05 US disclosed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 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 (2 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-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 MAPT 480/4885MAPK1 2690/4885SMN1; SMN2 1646/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 MAPT 480/4885MAPK1 2690/4885SMN1; SMN2 1646/4885

“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.