SCHEMBL19805318

SCHEMBL19805318

COc1cc(Oc2ccc(N3C(=O)N[C@H](C(C)(C)C)C3O)cn2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
DRD1 P21728 2/20 0.36
HRH1 P35367 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ACSS2 Q9NR19 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
SCHEMBL19805334 0.85 DRD1 (0.36) HRH3DRD1HRH1HDAC3HDAC4
SCHEMBL19670442 0.85 DRD1 (0.36) HRH3DRD1HRH1HDAC3HDAC4
SCHEMBL30939627 0.79 DRD1 (0.38) HRH3DRD1HRH1NPBWR1MCHR1
SCHEMBL1979390 0.79 DRD1 (0.38) HRH3DRD1HRH1NPBWR1MCHR1
SCHEMBL18610288 0.77 MCHR1 (0.35) HRH3MCHR1SCN9A
SCHEMBL30939609 0.76 DRD1 (0.40) HRH3DRD1HRH1NPBWR1MCHR1
SCHEMBL1978849 0.76 DRD1 (0.40) HRH3DRD1HRH1NPBWR1MCHR1
SCHEMBL19805306 0.76 HRH3 (0.39) HRH3DRD1HRH1HDAC3HDAC4
SCHEMBL19805311 0.76 DRD1 (0.35) HRH3DRD1HRH1HDAC3HDAC4
SCHEMBL23957573 0.73 MAPT (0.37) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180021336-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2018-01-25 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-20180021336-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 HRH3 635/4885DRD1 201/4885HRH1 1008/4885

“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.