SCHEMBL10041973

SCHEMBL10041973

CC(C)/C(=N/O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 3/20 0.43
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
HPGD P15428 3/20 0.41
XBP1 P17861 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ELANE P08246 1/20 0.40
GFER P55789 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL266382 1.00 POLB (0.51) POLBMAPTNPSR1MAPK1TDP1
SCHEMBL10050934 1.00 POLB (0.51) POLBMAPTNPSR1MAPK1TDP1
SCHEMBL5918159 0.84 MEN1 (0.42) POLBMAPTNPSR1MEN1KMT2A
SCHEMBL11082943 0.82 MEN1 (0.41) POLBMAPTMEN1KMT2AGAA
SCHEMBL11082940 0.82 MEN1 (0.41) POLBMAPTMEN1KMT2AGAA
SCHEMBL27425745 0.80 MEN1 (0.47) MAPTMAPK1TDP1L3MBTL1MEN1
SCHEMBL11313374 0.79 ALDH1A1 (0.46) MAPTNPSR1MAPK1TDP1MEN1
SCHEMBL11313376 0.79 ALDH1A1 (0.46) MAPTNPSR1MAPK1TDP1MEN1
SCHEMBL31072922 0.79 POLB (0.46) POLBMAPTNPSR1MAPK1TDP1
SCHEMBL8777036 0.79 KMT2A (0.50) POLBMAPTMEN1KMT2AGAA

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-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
EP-2816024-B1 Chiral amines SUNOVION PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2016-01-21 US disclosed
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2014-02-27 US disclosed
US-8524950-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2013-09-03 US disclosed
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 US 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 (5 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-10011559-B2 Preparation of chiral amides and amines PNMT, ALKBH5, ALKBH2 POLB 1181/4885MAPT 3474/4885NPSR1 127/4885
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH2, ALKBH5 POLB 1015/4885MAPT 3488/4885NPSR1 199/4885
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 POLB 1181/4885MAPT 3474/4885NPSR1 127/4885
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 POLB 1181/4885MAPT 3474/4885NPSR1 127/4885
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 POLB 1181/4885MAPT 3474/4885NPSR1 127/4885

“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.