SCHEMBL928800

SCHEMBL928800

O=[N+]([O-])c1ccc(-c2ccc(Cl)nn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.52
MAPT P10636 7/20 0.50
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
MCL1 Q07820 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOB P27338 1/20 0.47
XDH P47989 1/20 0.44
GAA P10253 2/20 0.43
APP P05067 1/20 0.43
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL30386718 1.00 CASP1 (0.52) CASP1MAPTRAB9ANPC1MEN1
SCHEMBL30461132 0.89 MAOB (0.54) CASP1MAPTRAB9ANPC1MEN1
SCHEMBL929507 0.80 MAPT (0.63) MAPTRAB9ANPC1PKMTDP1
SCHEMBL30914344 0.80 MAPT (0.63) MAPTRAB9ANPC1PKMTDP1
SCHEMBL27833835 0.74 ALDH1A1 (0.45) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL256008 0.74 HSD11B1 (0.48) CASP1MAPTRAB9ANPC1MEN1
SCHEMBL11171259 0.73 MAPT (0.61) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL27617094 0.72 RAB9A (0.56) CASP1MAPTRAB9ANPC1MEN1
SCHEMBL11624753 0.71 AR (0.45) RAB9AMEN1KMT2APOLBTDP1
SCHEMBL28503258 0.71 RAB9A (0.47) CASP1MAPTRAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250235453-A1 TRIAZOLOPYRIDAZINE COMPOUNDS USEFUL AS RAC1 INHIBITORS REVERE PHARMACEUTICALS 2025-07-24 US disclosed
WO-2023076259-A1 TRIAZOLOPYRIDAZINE COMPOUNDS USEFUL AS RAC1 INHIBITORS REVERE PHARMACEUTICALS (US) 2023-05-04 WO disclosed
EP-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP disclosed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
CN-101189233-A Substituted diazabicycloalkane derivatives as ligands for the alpha 7 nicotinic acetylcholine receptor ABBOTT LAB (US) 2008-05-28 CN disclosed
EP-1664045-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Abbott Laboratories (US) 2006-06-07 EP disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 US disclosed
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 WO 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-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 CASP1 2535/4885MAPT 3323/4885RAB9A 1215/4885
US-20250235453-A1 TRIAZOLOPYRIDAZINE COMPOUNDS USEFUL AS RAC1 INHIBITORS RAC1, TNK2, GDI2 CASP1 4154/4885MAPT 1537/4885RAB9A 63/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 CASP1 2456/4885MAPT 333/4885RAB9A 1951/4885

“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.