SCHEMBL4955574

SCHEMBL4955574

COc1ccc(Oc2ccc3c(c2)OCC(c2ccccc2)C3)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
CYP19A1 P11511 3/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.38
MAOB P27338 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PAX8 Q06710 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.37

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
SCHEMBL4953121 0.86 RAB9A (0.42) MEN1KMT2APOLBRAB9AAKR1C3
SCHEMBL10535824 0.83 ALOX15 (0.61) ALOX15ALOX12CYP19A1MAOBESR1
Hydrochloric Acid SCHEMBL4949331 0.82 ALOX15 (0.48) ALOX15ALOX12CYP19A1MEN1KMT2A
SCHEMBL19418881 0.76 ALOX15 (0.72) ALOX15ALOX12CYP19A1MAOBALDH1A1
SCHEMBL4358032 0.75 HSPB1 (0.46) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL4953429 0.74 SLC8A1 (0.49) CYP19A1MAOB
SCHEMBL31090881 0.74 MAPT (0.57) MEN1KMT2ARAB9AAKR1C3AKR1C2
SCHEMBL9269198 0.74 MAPT (0.57) MEN1KMT2ARAB9AAKR1C3AKR1C2
SCHEMBL4952859 0.73 ALDH1A1 (0.43) MEN1KMT2APOLBRAB9AMAPT
SCHEMBL16547296 0.71 DRD2 (0.46) ALOX15ALOX12CYP19A1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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 ALOX15 1197/4885ALOX12 1111/4885CYP19A1 2036/4885

“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.