SCHEMBL7515929

SCHEMBL7515929

CNC(=O)c1nn(CCC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
PDE10A Q9Y233 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 7/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MITF O75030 1/20 0.40
CYP1A2 P05177 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
SCHEMBL7517096 0.87 L3MBTL1 (0.46) L3MBTL1PDE10AALDH1A1SMN1; SMN2NPC1
SCHEMBL28805098 0.86 ALDH1A1 (0.43) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7512528 0.82 L3MBTL1 (0.49) L3MBTL1PDE10AALDH1A1SMN1; SMN2NPC1
SCHEMBL7511754 0.81 POLB (0.44) L3MBTL1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL21960981 0.80 ALDH1A1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7513476 0.79 PDE10A (0.44) PDE10AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1557959 0.78 L3MBTL1 (0.67) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7513469 0.77 PDE10A (0.43) L3MBTL1PDE10AALDH1A1SMN1; SMN2NPC1
SCHEMBL7510971 0.76 ALDH1A1 (0.46) L3MBTL1PDE10AALDH1A1SMN1; SMN2NPC1
SCHEMBL27912638 0.73 ALDH1A1 (0.45) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A

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 7 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
CN-102947292-B nitrogen-containing heteroaryl compounds HOFFMAN-LA ROCHE LTD. (CH) 2015-08-19 CN 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 3429/4885PDE10A 1/4885ALDH1A1 271/4885

“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.