SCHEMBL17610315

SCHEMBL17610315

Cc1c([N+](=O)[O-])cnn1CCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
EGFR P00533 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
PABPC1 P11940 1/20 0.34
CCR6 P51684 1/20 0.34
HTT P42858 1/20 0.34
VCAM1 P19320 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL15171010 0.82 POLB (0.47) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL16985273 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL16975314 0.81 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL9284026 0.78 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL27936843 0.78 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL16975578 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL16975408 0.77 MAPK1 (0.46) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL16975468 0.77 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL16975575 0.76 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL6069156 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 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 (1 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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 ALDH1A1 1707/4885SMN1; SMN2 2746/4885POLB 2353/4885

“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.