SCHEMBL20567553

SCHEMBL20567553

COc1cccc(Oc2ccc(N[C@H](C)C(N)=O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.64
MTNR1A P48039 7/20 0.60
PGR P06401 3/20 0.55
ACACB O00763 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
SYK P43405 1/20 0.48
AR P10275 1/20 0.48
RAF1 P04049 1/20 0.47

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
SCHEMBL29564854 0.84 SYK (0.59) MTNR1BMTNR1ASMN1; SMN2ALDH1A1SYK
Hydrochloric Acid SCHEMBL29564676 0.83 SYK (0.58) MTNR1BSMN1; SMN2ALDH1A1SYK
SCHEMBL20567337 0.82 SCN9A (0.44) MTNR1BPGRSYKAR
SCHEMBL22874617 0.81 MTNR1B (0.63) MTNR1BMTNR1APGRACACBSMN1; SMN2
SCHEMBL1980614 0.78 MTNR1B (0.80) MTNR1BMTNR1APGRALDH1A1AR
SCHEMBL11637763 0.78 MTNR1B (0.80) MTNR1BMTNR1APGRALDH1A1AR
SCHEMBL28528081 0.78 MTNR1B (0.52) MTNR1BMTNR1APGRSMN1; SMN2ALDH1A1
SCHEMBL4630369 0.76 MTNR1B (1.00) MTNR1BMTNR1APGRARRAF1
SCHEMBL17350083 0.75 MTNR1B (0.74) MTNR1BMTNR1APGRACACBSMN1; SMN2
SCHEMBL12672051 0.74 PGR (0.54) MTNR1BMTNR1APGRACACBSMN1; SMN2

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-10632118-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2020-04-28 US disclosed
US-20180338974-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2018-11-29 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-20180338974-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 MTNR1B 1903/4885MTNR1A 2267/4885PGR 3975/4885
US-10632118-B2 Imidazolidinedione derivatives KCND3, KCNK3, KCNA3 MTNR1B 1903/4885MTNR1A 2267/4885PGR 3975/4885

“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.