SCHEMBL3457728

SCHEMBL3457728

CC(=O)c1cnc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
F2 P00734 1/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL104460 0.86 KDM4E (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL29664524 0.83 NPC1 (0.43) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL30133788 0.76 KDM4E (0.35) NPC1RAB9AALDH1A1KDM4E
SCHEMBL3594129 0.72 CYP3A4 (0.47) RAB9AALDH1A1
SCHEMBL13459875 0.72 RAB9A (0.36) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL31003073 0.71 NNMT (0.36) NPC1RAB9AMAPK1KDM4EMAPT
3,4-Methylendioxy Acetophenone SCHEMBL137979 0.71 KDM4E (0.71) KMT2AMEN1NPC1RAB9AALDH1A1
3,4-Methylendioxy Acetophenone SCHEMBL29405437 0.71 KDM4E (0.71) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL31133355 0.70 MGAM (0.42) NPC1RAB9AALDH1A1MAPK1KDM4E
SCHEMBL16044509 0.70 MGAM (0.42) NPC1RAB9AALDH1A1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021099518-A1 NOVEL COMPOUNDS FOR THE DIAGNOSIS, TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH THE AGGREGATION OF ALPHA-SYNUCLEIN MODAG GMBH (DE) 2021-05-27 WO disclosed
US-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2018-09-06 US disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 US disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 US disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 US disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 US disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 US disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 US disclosed
US-9549919-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2017-01-24 US disclosed
US-9549919-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2017-01-24 US disclosed
WO-2013007621-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2013-01-17 WO disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
EP-2258703-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7205316-B2 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
EP-1751130-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBVIE INC. 2005-12-08 US disclosed
WO-2005113536-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-17 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 (5 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-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA2 KMT2A 1693/4885MEN1 4133/4885NPC1 865/4885
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 KMT2A 785/4885MEN1 1776/4885NPC1 2680/4885
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 KMT2A 1874/4885MEN1 4143/4885NPC1 1142/4885
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor CHRNG, CHRNA7, CHRNA1 KMT2A 1937/4885MEN1 4023/4885NPC1 1048/4885
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 KMT2A 785/4885MEN1 1776/4885NPC1 2680/4885

“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.