SCHEMBL20825684

SCHEMBL20825684

CC(C)C(NC(O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ IDH1 O75874 13/20 0.44
▸ IDO1 P14902 5/20 0.43

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
SCHEMBL18766880 0.89 HRH4 (0.47) HRH4HRH3IDH1IDO1
SCHEMBL18766989 0.85 HRH4 (0.47) HRH4HRH3IDH1IDO1
SCHEMBL17149866 0.78 IDO1 (0.59) HRH4HRH3IDO1
SCHEMBL18766930 0.72 HRH4 (0.44) HRH4HRH3IDH1
SCHEMBL17149909 0.72 IDO1 (0.61) HRH4HRH3IDO1
SCHEMBL18766922 0.71 IDH1 (0.45) HRH4HRH3IDH1
SCHEMBL18766993 0.67 HRH4 (0.55) HRH4HRH3
SCHEMBL17149870 0.67 IDO1 (0.58) HRH4IDO1
SCHEMBL18766996 0.67 HRH4 (0.45) HRH4HRH3IDH1IDO1
SCHEMBL5731862 0.65 HRH4 (0.51) HRH4HRH3IDH1

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-10858319-B2 Indole derivatives for use in medicine IOMET PHARMA LTD. (GB) 2020-12-08 — — US disclosed
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 (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-10858319-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 HRH4 64/4885HRH3 111/4885IDH1 239/4885
US-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 HRH4 72/4885HRH3 128/4885IDH1 246/4885

“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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