SCHEMBL322079

SCHEMBL322079

COc1nc(N2CCC(OC)CC2)nc(OC)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 8/20 0.50
KCNQ2 O43526 8/20 0.50
KCNQ4 P56696 1/20 0.50
KCNQ5 Q9NR82 1/20 0.50
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL13743275 0.83 KMT2A (0.40) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A
SCHEMBL4609792 0.79 MAPT (0.37) KCNQ3KCNQ2KMT2AMAPTNPSR1
SCHEMBL320941 0.77 KCNQ3 (0.52) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL4233300 0.71 MAPT (0.53) MAPTALDH1A1
SCHEMBL3674430 0.69 MEN1 (0.50) KMT2AMAPTNPSR1MAPK1SMN1; SMN2
SCHEMBL13743575 0.69 CKS1B (0.40) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL4227504 0.69 CYP1A2 (0.43) KMT2AMAPTNPSR1SMN1; SMN2KDM4E
SCHEMBL13743505 0.68 KMT2A (0.39) KCNQ3KCNQ2KMT2AMAPTNPSR1
SCHEMBL4235259 0.68 MAPT (0.49) KCNQ3KCNQ2KMT2AMAPTALDH1A1
SCHEMBL321477 0.67 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ4KCNQ5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883812-B2 Piperidinyl pyrimidine amides as Kv7 potassium channel openers PFIZER INC. (US) 2014-11-11 US disclosed
US-20130150391-A1 Piperidinyl Pyrimidine Amides As KV7 Potassium Channel Openers PFIZER INC. (US) 2013-06-13 US disclosed
EP-2590961-A1 PIPERIDINYL PYRIMIDINE AMIDES AS KV7 POTASSIUM CHANNEL OPENERS Pfizer Inc (US) 2013-05-15 EP disclosed
WO-2012004698-A1 PIPERIDINYL PYRIMIDINE AMIDES AS KV7 POTASSIUM CHANNEL OPENERS PFIZER INC. (US) 2012-01-12 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-20130150391-A1 Piperidinyl Pyrimidine Amides As KV7 Potassium Channel Openers KCNA7, KCNK17, KCNQ5 KCNQ3 6/4885KCNQ2 4/4885KCNQ4 7/4885

“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.