SCHEMBL4544358

SCHEMBL4544358

CCOC(=O)c1c([N+](=O)[O-])cn(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
AR P10275 5/20 0.50
ALDH1A1 P00352 6/20 0.47
POLB P06746 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
MITF O75030 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
GALR2 O43603 1/20 0.44
HSP90AA1 P07900 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL19332864 0.79 KMT2A (0.45) MAPTARALDH1A1POLBKMT2A
SCHEMBL6835114 0.78 MAPT (0.51) MAPTALDH1A1POLBKMT2ALMNA
SCHEMBL11212558 0.77 KMT2A (0.50) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL31443391 0.77 KMT2A (0.43) MAPTARALDH1A1POLBKMT2A
SCHEMBL23499036 0.76 KMT2A (0.49) MAPTARALDH1A1KMT2ALMNA
SCHEMBL3285555 0.75 KMT2A (0.42) MAPTALDH1A1POLBKMT2ALMNA
SCHEMBL21869318 0.74 ALDH1A1 (0.43) MAPTARALDH1A1POLBKMT2A
SCHEMBL4544319 0.74 MAPT (0.49) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL21428171 0.74 KMT2A (0.47) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9761593 0.73 NPC1 (0.57) MAPTARALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-8648103-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-11 US disclosed
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-03 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 (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-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPC1 MAPT 4122/4885AR 595/4885ALDH1A1 1307/4885
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPPA MAPT 4291/4885AR 280/4885ALDH1A1 725/4885

“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.