SCHEMBL1572980

SCHEMBL1572980

O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCN2CCC1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
CSNK2A1 P68400 1/20 0.42
GSK3B P49841 1/20 0.42
CDK2 P24941 1/20 0.40
LMNA P02545 2/20 0.38
MCHR1 Q99705 2/20 0.38
CHRNA7 P36544 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TNFSF11 O14788 2/20 0.38
TNF P01375 2/20 0.38
CNR2 P34972 1/20 0.37
UGCG Q16739 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4529923 0.83 CCNC (0.42) MAPTCHRNA7UGCGCCNCCDK8
SCHEMBL4232915 0.82 GSK3B (0.46) GSK3BCHRNA7UGCGCCNCCDK8
SCHEMBL1572778 0.81 CHRNA7 (0.52) MAPTHPGDCHRNA7MEN1KMT2A
SCHEMBL1573183 0.80 GSK3B (0.53) GSK3BCDK2UGCG
Formic Acid SCHEMBL1572911 0.80 CCNC (0.39) MAPTCHRNA7UGCGCCNCCDK8
Hydrochloric Acid SCHEMBL4223898 0.79 CHRNA7 (0.51) MAPTHPGDCHRNA7MEN1KMT2A
SCHEMBL1572934 0.78 DYRK1A (0.47) GSK3BCHRNA7
SCHEMBL1635357 0.78 AHR (0.43) CHRNA7UGCG
SCHEMBL1572444 0.77 RBP4 (0.47) GSK3BCHRNA7UGCG
SCHEMBL1572527 0.77 PRKAB2 (0.46) GSK3BCHRNA7UGCGCCNCCDK8

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
EP-1745046-B1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2011-04-13 EP disclosed
US-20090325939-A1 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF XIE WENGE 2009-12-31 US disclosed
US-20090325939-A1 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF XIE WENGE 2009-12-31 US disclosed
US-7632831-B2 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-15 US disclosed
US-7632831-B2 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-15 US disclosed
EP-1745046-A2 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-24 EP disclosed
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-12-08 US disclosed
WO-2005111038-A2 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-11-24 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-20090325939-A1 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF CHRNA7, CHRNA1, CHRNA5 MAPT 891/4885HPGD 2228/4885CSNK2A1 175/4885
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof CHRNA7, CHRNA1, CHRNA5 MAPT 891/4885HPGD 2228/4885CSNK2A1 175/4885

“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.