SCHEMBL22712643

SCHEMBL22712643

CCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2cccc3c2C2(CC2)CO3)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.43
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MAPT P10636 3/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL19011559 1.00 SCN9A (0.43) SCN9AIDO1TDO2MAPTHDAC8
SCHEMBL21953273 0.89 SCN9A (0.40) SCN9AIDO1TDO2MAPTHDAC8
SCHEMBL31009066 0.89 SCN9A (0.40) SCN9AIDO1TDO2MAPTHDAC8
SCHEMBL21642985 0.87 SCN9A (0.37) SCN9AIDO1TDO2MAPTHDAC8
SCHEMBL21642986 0.87 SCN9A (0.37) SCN9AIDO1TDO2MAPTHDAC8
SCHEMBL29438022 0.85 CA12 (0.39) SCN9AHDAC8HDAC4HDAC1HDAC3
SCHEMBL9923816 0.85 CA12 (0.39) SCN9AHDAC8HDAC4HDAC1HDAC3
SCHEMBL22712639 0.83 IDO1 (0.37) SCN9AIDO1TDO2MAPTALDH1A1
SCHEMBL19011497 0.83 IDO1 (0.37) SCN9AIDO1TDO2MAPTALDH1A1
SCHEMBL23750239 0.80 SCN9A (0.39) SCN9AMAPTHDAC8HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390394-B1 HYDANTOIN MODULATORS OF KV3 CHANNELS AUTIFONY THERAPEUTICS LTD (GB) 2022-05-25 EP disclosed
US-20200377485-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS AUTIFONY THERAPEUTICS LTD (GB) 2020-12-03 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-20200377485-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS KCNA3, KCNN3, KCND3 SCN9A 100/4885IDO1 1238/4885TDO2 1442/4885

“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.