SCHEMBL15519149

SCHEMBL15519149

[2H]C([2H])([2H])c1nc2cccc([N+](=O)[O-])c2c(=O)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.50
KLK3 P07288 1/20 0.43
TYMS P04818 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
F2 P00734 1/20 0.42
C1R P00736 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
PDE10A Q9Y233 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL282876 0.90 ELANE (0.62) ELANEKLK3TYMSMEN1KMT2A
SCHEMBL10662992 0.78 ELANE (0.63) ELANEKLK3TYMSMEN1KMT2A
SCHEMBL912480 0.75 KMT2A (0.73) ELANEKLK3MEN1KMT2AMAPT
SCHEMBL31489848 0.75 MEN1 (0.58) ELANEKLK3MEN1KMT2AMAPT
SCHEMBL17770598 0.75 MEN1 (0.58) ELANEKLK3MEN1KMT2AMAPT
SCHEMBL26672077 0.74 TYMS (0.42) ELANEKLK3TYMSMEN1KMT2A
SCHEMBL914145 0.73 F7 (0.59) ELANEKLK3TYMSMEN1KMT2A
SCHEMBL7319447 0.72 MEN1 (0.42) ELANEKLK3TYMSMEN1KMT2A
SCHEMBL914648 0.72 MEN1 (0.48) ELANEKLK3TYMSMEN1KMT2A
SCHEMBL914707 0.71 ELANE (0.67) ELANEKLK3MEN1KMT2AMAPT

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-20150203469-A1 ISOTOPOLOGUES OF 3-(5-AMINO-2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL) PIPERIDINE-2-6-DIONE AND METHODS OF PREPARATION THEREOF CELGENE CORPORATION 2015-07-23 US claimed
EP-2892887-B1 ISOTOPOLOGUES OF 3-(5-AMINO-2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL) PIPERIDINE-2-6-DIONE AND METHODS OF PREPARATION THEREOF CELGENE CORP (US) 2020-07-15 EP disclosed
US-20180093965-A1 ISOTOPOLOGUES OF 3-(5-AMINO-2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL)PIPERIDINE-2,6-DIONE AND METHODS OF PREPARATION THEREOF CELGENE CORP (US) 2018-04-05 US disclosed
US-9682952-B2 Isotopologues of 3-(5-amino-2-methyl-4-oxoquinazolin-3(4H)-yl) piperidine-2-6-dione and methods of preparation thereof CELGENE CORPORATION (US) 2017-06-20 US disclosed
US-9682952-B2 Isotopologues of 3-(5-amino-2-methyl-4-oxoquinazolin-3(4H)-yl) piperidine-2-6-dione and methods of preparation thereof CELGENE CORPORATION (US) 2017-06-20 US disclosed
US-20150203469-A1 ISOTOPOLOGUES OF 3-(5-AMINO-2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL) PIPERIDINE-2-6-DIONE AND METHODS OF PREPARATION THEREOF CELGENE CORPORATION 2015-07-23 US disclosed
US-20150203469-A1 ISOTOPOLOGUES OF 3-(5-AMINO-2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL) PIPERIDINE-2-6-DIONE AND METHODS OF PREPARATION THEREOF CELGENE CORPORATION 2015-07-23 US disclosed
EP-2892887-A1 ISOTOPOLOGUES OF 3-(5-AMINO-2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL) PIPERIDINE-2-6-DIONE AND METHODS OF PREPARATION THEREOF Celgene Corporation (US) 2015-07-15 EP disclosed
WO-2014039421-A1 ISOTOPOLOGUES OF 3-(5-AMINO-2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL) PIPERIDINE-2-6-DIONE AND METHODS OF PREPARATION THEREOF CELGENE CORPORATION (US) 2014-03-13 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-20150203469-A1 ISOTOPOLOGUES OF 3-(5-AMINO-2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL) PIPERIDINE-2-6-DIONE AND METHODS OF PREPARATION THEREOF AQP3, CYP2D6, CYP3A5 ELANE 4693/4885KLK3 720/4885TYMS 1174/4885
US-20180093965-A1 ISOTOPOLOGUES OF 3-(5-AMINO-2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL)PIPERIDINE-2,6-DIONE AND METHODS OF PREPARATION THEREOF CYP2D6, AQP3, CYP3A5 ELANE 4672/4885KLK3 740/4885TYMS 1194/4885

“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.