Clathrodin

Clathrodin

SCHEMBL13036741

Nc1ncc(/C=C/CNC(=O)c2ccc[nH]2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 1.00
KCNA6 P17658 9/20 0.67
KCNA3 P22001 9/20 0.67
KCNA4 P22459 9/20 0.67
KCNA5 P22460 3/20 0.67
KCNA2 P16389 1/20 0.65
MAP2K1 Q02750 1/20 0.65
SCN9A Q15858 1/20 0.51
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KDM4E B2RXH2 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
Clathrodin SCHEMBL13036737 1.00 NT5E (1.00) NT5EKCNA6KCNA3KCNA4KCNA5
SCHEMBL13074223 0.84 NT5E (0.72) NT5EKCNA6KCNA3KCNA4KCNA5
SCHEMBL21182348 0.80 KCNA6 (1.00) NT5EKCNA6KCNA3KCNA4KCNA5
SCHEMBL13036733 0.80 KCNA6 (1.00) NT5EKCNA6KCNA3KCNA4KCNA5
Oroidin SCHEMBL13036750 0.79 KCNA6 (1.00) NT5EKCNA6KCNA3KCNA4KCNA5
Oroidin SCHEMBL13036738 0.79 KCNA6 (1.00) NT5EKCNA6KCNA3KCNA4KCNA5
SCHEMBL13036715 0.75 KCNA6 (0.61) NT5EKCNA6KCNA3KCNA4KCNA5
SCHEMBL13036703 0.72 NT5E (0.55) NT5EHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL30092235 0.71 VIP (0.65) NT5ESCN9AHDAC3HDAC4HDAC1
SCHEMBL13074314 0.69 KCNA6 (0.52) NT5EKCNA6KCNA3KCNA4KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113508417-B Image processing system and method 广州超视计生物科技有限公司 2022-05-24 CN disclosed
US-7838681-B2 Synthesis of substituted heterocyclic compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-23 US disclosed
US-20070106077-A1 Synthesis of substituted heterocyclic compounds UNIVERSITE DE PARIS SUD (FR) 2007-05-10 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-20070106077-A1 Synthesis of substituted heterocyclic compounds CBR1, CORO1C, CYCS NT5E 3400/4885KCNA6 3183/4885KCNA3 2480/4885

“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.