SCHEMBL621774

SCHEMBL621774

O=[N+]([O-])c1cc(F)ccc1/C=C/N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 7/20 0.43
MAPT P10636 7/20 0.42
MAPK1 P28482 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 5/20 0.41
ALDH1A3 P47895 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 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
SCHEMBL618724 1.00 TDP1 (0.44) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL8867114 0.86 HSPB1 (0.44) TDP1ALDH1A1MAPTMAPK1NPC1
SCHEMBL8867121 0.86 HSPB1 (0.44) TDP1ALDH1A1MAPTMAPK1NPC1
SCHEMBL1590012 0.82 MAPK1 (0.44) TDP1ALDH1A1MAPTMAPK1NPC1
SCHEMBL1238283 0.82 MAPK1 (0.44) TDP1ALDH1A1MAPTMAPK1NPC1
SCHEMBL28910907 0.81 MAOA (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28910908 0.81 MAOA (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8533307 0.80 ALDH1A1 (0.62) TDP1ALDH1A1MAPTMAPK1NPC1
SCHEMBL6194046 0.80 ALDH1A1 (0.62) TDP1ALDH1A1MAPTMAPK1NPC1
SCHEMBL30603181 0.80 ALDH1A1 (0.62) TDP1ALDH1A1MAPTMAPK1NPC1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230265-A1 A PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE H. Lundbeck A/S (DK) 2017-10-18 EP disclosed
WO-2016091997-A1 A PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE H. LUNDBECK A/S (DK) 2016-06-16 WO disclosed
US-20160168089-A1 PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE LUNDBECK A/S (DK) 2016-06-16 US disclosed
US-20160168089-A1 PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE LUNDBECK A/S (DK) 2016-06-16 US disclosed
WO-2016091997-A1 A PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE H. LUNDBECK A/S (DK) 2016-06-16 WO disclosed
US-20160168089-A1 PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE LUNDBECK A/S (DK) 2016-06-16 US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
EP-2139322-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS Smithkline Beecham Corporation (US) 2010-01-06 EP disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 WO disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 WO disclosed
EP-0807631-B1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2003-03-12 EP disclosed
US-5981752-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1999-11-09 US disclosed
US-5773618-A PYRROLOQUINOLINONE DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1998-06-30 US disclosed
EP-0807631-A1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-11-19 EP 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 (3 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-20160168089-A1 PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE ADRA2C, QDPR, ADRA1D TDP1 4199/4885ATM 4528/4885ALDH1A1 309/4885
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA TDP1 2299/4885ATM 1997/4885ALDH1A1 3293/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA TDP1 2300/4885ATM 2007/4885ALDH1A1 3303/4885

“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.