SCHEMBL7514334

SCHEMBL7514334

Cn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)O)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
LMNA P02545 7/20 0.52
MITF O75030 1/20 0.51
HTT P42858 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
PKM P14618 1/20 0.47
PDE10A Q9Y233 1/20 0.47
HPGD P15428 2/20 0.47
RECQL P46063 1/20 0.46

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
SCHEMBL18049578 0.81 L3MBTL1 (0.69) L3MBTL1LMNAMITFHTTSMN1; SMN2
SCHEMBL18049579 0.81 L3MBTL1 (0.69) L3MBTL1LMNAMITFHTTSMN1; SMN2
SCHEMBL7509048 0.80 CFTR (0.48) L3MBTL1SMN1; SMN2PDE10A
SCHEMBL1557959 0.79 L3MBTL1 (0.67) L3MBTL1LMNAMITFHTTSMN1; SMN2
SCHEMBL15402413 0.79 PDE10A (0.45) L3MBTL1SMN1; SMN2PDE10A
SCHEMBL16065101 0.76 L3MBTL1 (0.62) L3MBTL1LMNAMITFHTTSMN1; SMN2
SCHEMBL1558732 0.74 L3MBTL1 (0.60) L3MBTL1LMNAMITFHTTSMN1; SMN2
SCHEMBL7514350 0.74 L3MBTL1 (0.50) L3MBTL1LMNAMITFHTTSMN1; SMN2
SCHEMBL1559275 0.74 L3MBTL1 (0.63) L3MBTL1LMNAMITFHTTSMN1; SMN2
SCHEMBL30079200 0.74 L3MBTL1 (0.59) L3MBTL1LMNAMITFHTTSMN1; SMN2

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
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 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 (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-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A L3MBTL1 3429/4885LMNA 2125/4885MITF 4294/4885

“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.