SCHEMBL3674430

SCHEMBL3674430

COc1nc(N2CCc3ccccc3C2)nc(OC)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 7/20 0.46
MAPK1 P28482 3/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 2/20 0.42
EED O75530 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CETP P11597 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL12075754 0.90 MEN1 (0.44) MEN1KMT2AMAPTMAPK1PKM
SCHEMBL3677193 0.83 S1PR1 (0.47) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL3676832 0.80 GRIN2D (0.50) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL6951809 0.79 MEN1 (0.40) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6949967 0.75 HTT (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL3676017 0.71 KCNQ2 (0.64)
SCHEMBL322079 0.69 KCNQ3 (0.50) KMT2AMAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL12463920 0.69 GRIN2D (0.50) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL6947517 0.68 MEN1 (0.44) MEN1KMT2AMAPTMAPK1PKM
SCHEMBL13743275 0.68 KMT2A (0.40) KMT2AMAPTMAPK1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367684-B2 Derivatives of 4-(N-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2013-02-05 US disclosed
US-8367684-B2 Derivatives of 4-(N-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2013-02-05 US disclosed
US-8367684-B2 Derivatives of 4-(N-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2013-02-05 US disclosed
EP-2170861-B1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INT (US) 2012-08-29 EP disclosed
EP-2170861-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS Valeant Pharmaceuticals International (US) 2010-04-07 EP disclosed
US-20080318979-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-12-25 US disclosed
US-20080318979-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-12-25 US disclosed
US-20080318979-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-12-25 US disclosed
WO-2008157404-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-12-24 WO disclosed
WO-2008157404-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-12-24 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-20080318979-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS KCNH2, KCNA6, KCNA1 MEN1 1241/4885KMT2A 859/4885MAPT 3868/4885

“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.