SCHEMBL2679488

SCHEMBL2679488

Cc1cc(N2CCc3ncccc3C2)nc(N2CC[C@@H](F)C2)c1NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
KCNQ2 O43526 4/20 0.38
TRPV1 Q8NER1 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
MAPT P10636 3/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KRAS P01116 1/20 0.33
KCNQ3 O43525 1/20 0.33

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
SCHEMBL30794946 1.00 HDAC6 (0.39) HDAC6KCNQ2TRPV1CACNA1GCACNA1H
SCHEMBL693496 0.90 KCNQ2 (0.44) HDAC6KCNQ2MAPTGRIN2DGRIN3B
SCHEMBL30795656 0.90 KCNQ2 (0.44) HDAC6KCNQ2MAPTGRIN2DGRIN3B
SCHEMBL30794388 0.87 HDAC6 (0.40) HDAC6KCNQ2CACNA1HMAPTGRIN2D
SCHEMBL2680190 0.87 HDAC6 (0.40) HDAC6KCNQ2CACNA1HMAPTGRIN2D
SCHEMBL694515 0.81 GRM1 (0.50) HDAC6KCNQ2GRIN2DGRIN3BGRIN1
SCHEMBL2679556 0.76 KCNQ2 (0.40) HDAC6KCNQ2GRIN2DGRIN3BGRIN1
SCHEMBL30795339 0.76 KCNQ2 (0.40) HDAC6KCNQ2GRIN2DGRIN3BGRIN1
SCHEMBL694023 0.75 KCNQ2 (0.62) HDAC6KCNQ2KCNQ3
SCHEMBL30794396 0.75 KCNQ2 (0.62) HDAC6KCNQ2KCNQ3

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
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO 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
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US 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 HDAC6 1621/4885KCNQ2 2/4885TRPV1 92/4885

“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.