SCHEMBL694023

SCHEMBL694023

Cc1cc(N2CCc3ncccc3C2)nc(N2CCCC2)c1NC(=O)CC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 19/20 0.62
KCNQ3 O43525 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL30794396 1.00 KCNQ2 (0.62) KCNQ2KCNQ3HDAC6
SCHEMBL30795656 0.85 KCNQ2 (0.44) KCNQ2KCNQ3HDAC6
SCHEMBL693496 0.85 KCNQ2 (0.44) KCNQ2KCNQ3HDAC6
SCHEMBL23177866 0.82 KCNQ2 (0.86) KCNQ2KCNQ3
SCHEMBL30795574 0.81 MAPT (0.49) KCNQ2HDAC6
SCHEMBL693254 0.81 MAPT (0.49) KCNQ2HDAC6
SCHEMBL12703676 0.80 KCNQ2 (0.57) KCNQ2KCNQ3HDAC6
SCHEMBL2679556 0.79 KCNQ2 (0.40) KCNQ2HDAC6
SCHEMBL30795339 0.79 KCNQ2 (0.40) KCNQ2HDAC6
SCHEMBL2680190 0.78 HDAC6 (0.40) KCNQ2KCNQ3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US claimed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
EP-2421863-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch AS (DK) 2012-02-29 EP disclosed
WO-2010122064-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-10-28 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-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE KCNQ1, KCNQ2, KCNQ5 KCNQ2 2/4885KCNQ3 5/4885HDAC6 1621/4885

“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.