SCHEMBL1000100

SCHEMBL1000100

COc1cc(Br)cc(OC)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
TDP1 Q9NUW8 5/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
MAPT P10636 3/20 0.44
BLM P54132 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 2/20 0.42
ERN1 O75460 2/20 0.42
CYP3A4 P08684 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 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
SCHEMBL14387490 0.90 ALOX15 (0.42) PKMTDP1KDM4EL3MBTL1POLB
SCHEMBL21810283 0.87 HTT (0.49) PKMTDP1KDM4EL3MBTL1POLB
SCHEMBL1675629 0.87 MAPT (0.43) PKMTDP1KDM4EL3MBTL1POLB
SCHEMBL22118191 0.87 ERN1 (0.44) PKMTDP1KDM4EL3MBTL1POLB
SCHEMBL16268317 0.84 MAPT (0.39) PKMTDP1KDM4EL3MBTL1POLB
SCHEMBL28074482 0.81 ACHE (0.48) PKMTDP1KDM4EL3MBTL1POLB
SCHEMBL6826066 0.81 PKM (0.46) PKMTDP1KDM4EL3MBTL1POLB
SCHEMBL12525248 0.81 TDP1 (0.38) TDP1KDM4EL3MBTL1POLBCTDSP1
SCHEMBL12526932 0.81 L3MBTL1 (0.46) TDP1KDM4EL3MBTL1POLBCTDSP1
SCHEMBL34475436 0.79 ALDH1A1 (0.48) PKML3MBTL1POLBMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058895-A1 RADIOLABELED GNRH ANTAGONISTS AS PET IMAGING AGENTS OSLO UNIVERSITETSSYKEHUS HF (NO) 2016-03-03 US disclosed
US-20160058895-A1 RADIOLABELED GNRH ANTAGONISTS AS PET IMAGING AGENTS OSLO UNIVERSITETSSYKEHUS HF (NO) 2016-03-03 US disclosed
EP-2986603-A1 RADIOLABELED GNRH ANTAGONISTS AS PET IMAGING AGENTS Oslo Universitetssykehus HF (NO) 2016-02-24 EP disclosed
US-8993593-B2 N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2015-03-31 US disclosed
US-8993593-B2 N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2015-03-31 US disclosed
US-8993593-B2 N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2015-03-31 US disclosed
WO-2014184682-A9 RADIOLABELED GNRH ANTAGONISTS AS PET IMAGING AGENTS OSLO UNIVERSITETSSYKEHUS HF (NO) 2015-01-29 WO disclosed
WO-2014184682-A1 RADIOLABELED GNRH ANTAGONISTS AS PET IMAGING AGENTS OSLO UNIVERSITETSSYKEHUS HF (NO) 2014-11-20 WO disclosed
EP-2061465-B1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INT (US) 2013-04-10 EP disclosed
CN-102869250-A 4- (N-azacycloalkyl) anilide derivatives as potassium channel modulators VALEANT PHARMACEUTICALS INT 2013-01-09 CN disclosed
US-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2011-01-06 US disclosed
US-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2011-01-06 US disclosed
CN-101563085-A Derivatives of 4-(N-azacycloalkyl) anilides as potassium channel modulators VERNIER JEAN MICHEL (US) 2009-10-21 CN disclosed
EP-2061465-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS Valeant Pharmaceuticals International (US) 2009-05-27 EP disclosed
US-20080139610-A1 Derivatives of 4-(n-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-06-12 US disclosed
US-20080139610-A1 Derivatives of 4-(n-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-06-12 US disclosed
US-20080139610-A1 Derivatives of 4-(n-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-06-12 US disclosed
WO-2008024398-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-02-28 WO disclosed
WO-2008024398-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-02-28 WO disclosed
WO-2007137196-A2 TUBULIN BINDING ANTI CANCER COMPOUNDS AND PRODRUGS THEREOF THRESHOLD PHARMACEUTICALS, INC. (US) 2007-11-29 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-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS KCNQ2, KCNQ1, KCNQ5 PKM 1860/4885TDP1 2883/4885KDM4E 200/4885
US-20080139610-A1 Derivatives of 4-(n-azacycloalkyl) anilides as potassium channel modulators KCNQ2, KCNQ1, KCNQ5 PKM 1827/4885TDP1 3025/4885KDM4E 181/4885
US-20160058895-A1 RADIOLABELED GNRH ANTAGONISTS AS PET IMAGING AGENTS GNRHR, FSHR, GHRHR PKM 3543/4885TDP1 1653/4885KDM4E 2674/4885

“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.