SCHEMBL17536375

SCHEMBL17536375

CC(C)(C)N(C(=O)O)C(C)(C)C(=O)Nc1ccc(Oc2cccc3c2C2(CC2)CO3)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
HTR2C P28335 9/20 0.33
HTR2B P41595 5/20 0.33
MAPK1 P28482 2/20 0.33
GFER P55789 1/20 0.33
GALR3 O60755 1/20 0.33
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
CASP3 P42574 1/20 0.32
KMT2A Q03164 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL9900399 0.90 PKM (0.35) PKMMAPTRAB9AHTTALDH1A1
SCHEMBL15303569 0.90 ALDH1A1 (0.34) PKMMAPTRAB9AHTTALDH1A1
SCHEMBL1979639 0.86 RAB9A (0.37) PKMMAPTRAB9AHTTALDH1A1
SCHEMBL9904768 0.85 HTR2C (0.36) PKMMAPTRAB9AHTTALDH1A1
SCHEMBL15303700 0.82 PKM (0.32) PKMMAPTRAB9AHTTALDH1A1
SCHEMBL15303632 0.82 MEN1 (0.36) PKMMAPTRAB9AHTTALDH1A1
SCHEMBL20921348 0.82 MEN1 (0.36) PKMMAPTRAB9AHTTALDH1A1
SCHEMBL15303715 0.82 MEN1 (0.36) PKMMAPTRAB9AHTTALDH1A1
Hydrochloric Acid SCHEMBL23927083 0.82 HTR2C (0.39) RAB9AALDH1A1GAAHTR2CHTR2B
SCHEMBL12594124 0.81 RAB9A (0.34) PKMMAPTRAB9AHTTALDH1A1

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
US-20170273981-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS GLAXOSMITHKLINE S.P.A. (IT) 2017-09-28 US disclosed
US-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2016-03-03 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 (2 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-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 PKM 793/4885MAPT 3762/4885RAB9A 1989/4885
US-20170273981-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS KCNA3, KCND3, KCNN3 PKM 394/4885MAPT 3971/4885RAB9A 1463/4885

“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.