SCHEMBL4374182

SCHEMBL4374182

O=C1CC(c2cccc([N+](=O)[O-])c2)Oc2ccc(O)cc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.67
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP19A1 P11511 5/20 0.58
CYP3A4 P08684 2/20 0.56
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PSMB5 P28074 1/20 0.53
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
YES1 P07947 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51

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
SCHEMBL4362071 0.88 AR (0.70) ARNPC1RAB9AMEN1KMT2A
SCHEMBL11267867 0.85 MAOB (0.62) ARNPC1RAB9AMEN1KMT2A
SCHEMBL11267862 0.85 MAOB (0.62) ARNPC1RAB9AMEN1KMT2A
SCHEMBL4953726 0.85 AR (0.81) ARNPC1RAB9ACYP19A1CYP3A4
SCHEMBL4362380 0.85 AR (0.81) ARNPC1RAB9ACYP19A1CYP3A4
SCHEMBL14053279 0.81 NPC1 (0.72) ARNPC1RAB9AMEN1KMT2A
SCHEMBL14053278 0.81 NPC1 (0.72) ARNPC1RAB9AMEN1KMT2A
SCHEMBL4363980 0.81 ESR1 (0.60) ARNPC1RAB9AMEN1KMT2A
SCHEMBL10362227 0.81 AR (1.00) ARNPC1RAB9AMEN1KMT2A
SCHEMBL126598 0.81 AR (1.00) ARNPC1RAB9AMEN1KMT2A

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
US-7482340-B2 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2009-01-27 US disclosed
US-7425568-B2 Compounds, which are potent inhibitors of Na+ /Ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2008-09-16 US disclosed
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 US disclosed
EP-1412343-B1 COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORP (FI) 2006-08-30 EP disclosed
US-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2004-11-25 US disclosed
EP-1412343-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2004-04-28 EP disclosed
WO-2003006452-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2003-01-23 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 (2 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-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias CACNA1E, KCNN4, RYR2 AR 965/4885NPC1 670/4885RAB9A 882/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU AR 3262/4885NPC1 722/4885RAB9A 972/4885

“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.