SCHEMBL5862734

SCHEMBL5862734

N#CC(C#N)(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
FDPS P14324 1/20 0.38
MGMT P16455 1/20 0.38

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
SCHEMBL5860103 0.81 KMT2A (0.46) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL15700641 0.79 ESR1 (0.49) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL11141195 0.73 MAPT (0.45) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL1053453 0.71 KMT2A (0.60) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL5860161 0.71 POLB (0.49) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL5860416 0.71 RECQL (0.47) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL3570088 0.69 LMNA (0.72) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL31504344 0.69 LMNA (0.72) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL13865451 0.69 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL5659103 0.68 MAPT (0.53) ALDH1A1KMT2AL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO claimed
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 US claimed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP claimed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO claimed
US-20190104733-A1 Malononitrile Compounds for Controlling Animal Pests BASF SE (DE) 2019-04-11 US disclosed
US-20160066573-A1 Malononitrile Compounds for Controlling Animal Pests BASF SE (DE) 2016-03-10 US disclosed
WO-2014090700-A1 MALONONITRILE COMPOUNDS FOR CONTROLLING ANIMAL PESTS BASF SE (DE) 2014-06-19 WO disclosed
US-7012146-B2 Ion channel modulating agents POSEIDON PHARMACEUTICALS A/S (DK) 2006-03-14 US disclosed
EP-1345618-B1 CHLORZOXAZONE FOR THE TREATMENT OF PSORIASIS SWITCH BIOTECH AG (DE) 2005-03-23 EP disclosed
US-20040248099-A1 Use of intermediate -conductance potassium channels and modulators for diagnosing and treating diseases having disturbed keratinocyte activity SWITCH BIOTECH AKTIENGESELLSCHAFT (DE) 2004-12-09 US disclosed
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO disclosed
EP-1345618-A2 USE OF INTERMEDIATE-CONDUCTANCE POTASSIUM CHANNELS AND MODULATORS FOR THE DIAGNOSIS AND TREATMENT OF ILLNESSES HAVING DISTURBED KERATINOCYTE ACTIVITY Switch Biotech Aktiengesellschaft (DE) 2003-09-24 EP disclosed
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 US disclosed
WO-2002053171-A2 USE OF INTERMEDIATE-CONDUCTANCE POTASSIUM CHANNELS AND MODULATORS FOR THE DIAGNOSIS AND TREATMENT OF ILLNESSES HAVING DISTURBED KERATINOCYTE ACTIVITY SWITCH BIOTECH AKTIENGESELLSCHAFT (DE) 2002-07-11 WO disclosed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP disclosed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 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-20190104733-A1 Malononitrile Compounds for Controlling Animal Pests MAL2, ME1, DDT ALDH1A1 246/4885KMT2A 647/4885L3MBTL1 16/4885
US-20160066573-A1 Malononitrile Compounds for Controlling Animal Pests MAL2, ME1, DDT ALDH1A1 246/4885KMT2A 647/4885L3MBTL1 16/4885
US-20020169203-A1 Ion channel modulating agents KCNN3, KCNN1, KCNN2 ALDH1A1 4482/4885KMT2A 1783/4885L3MBTL1 4454/4885

“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.