SCHEMBL20826032

SCHEMBL20826032

C[C@@H](NC(O)c1cc2cccc(F)c2[nH]1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.40
▸ DDO Q99489 1/20 0.40
▸ HRH4 Q9H3N8 3/20 0.36
▸ GRIN2D O15399 2/20 0.36
▸ GRIN3B O60391 2/20 0.36
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2A Q12879 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ GRIN2C Q14957 2/20 0.36
▸ GRIN3A Q8TCU5 2/20 0.36
▸ MTOR P42345 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ACP3 P15309 2/20 0.35
▸ AR P10275 1/20 0.34
▸ SIGMAR1 Q99720 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
SCHEMBL20826030 1.00 DAO (0.40) DAODDOHRH4GRIN2DGRIN3B
SCHEMBL18766926 0.85 PYGL (0.36) HRH4MEN1KMT2A
SCHEMBL20826217 0.81 KDM4E (0.40) DAODDOHRH4GRIN2DGRIN3B
SCHEMBL18766990 0.81 KDM4E (0.40) DAODDOHRH4GRIN2DGRIN3B
SCHEMBL22751757 0.75 KIF11 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16380961 0.75 DAO (0.49) DAODDOHRH4CA12CA9
SCHEMBL2075092 0.74 HTR2A (0.51) MTOR
SCHEMBL20826218 0.74 MLKL (0.39) DAODDOMEN1KMT2AACP3
SCHEMBL27663544 0.73 DAO (0.42) DAODDOHRH4CA12CA9
SCHEMBL17149696 0.73 ALB (0.53) HRH4MEN1KMT2A

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-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2019-03-21 — — 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-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 DAO 11/4885DDO 16/4885HRH4 72/4885

“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.

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