SCHEMBL20825908

SCHEMBL20825908

C[C@@H](NC(O)c1cc2cc(Cl)cnc2[nH]1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 3/20 0.39
▸ MAP2 P11137 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ASPH Q12797 1/20 0.35
▸ RIOX2 Q8IUF8 1/20 0.35
▸ KDM8 Q8N371 1/20 0.35
▸ COASY Q13057 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ HDAC3 O15379 3/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ EGFR P00533 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ CAMK2D Q13557 1/20 0.33
▸ JAK2 O60674 1/20 0.33

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
SCHEMBL18766930 0.82 HRH4 (0.44) IDH1KDM4EHRH4
SCHEMBL18766926 0.77 PYGL (0.36) IDH1MAP2HRH4
SCHEMBL17149856 0.75 KMT2A (0.50) KDM4EPDE2AHRH4PTGER4
SCHEMBL20826218 0.73 MLKL (0.39) KDM4E
SCHEMBL22751757 0.72 KIF11 (0.38) KDM4EPDE2AEGFR
SCHEMBL20826030 0.71 DAO (0.40) HRH4
SCHEMBL20826032 0.71 DAO (0.40) HRH4
SCHEMBL18766922 0.70 IDH1 (0.45) IDH1HRH4
SCHEMBL18812226 0.69 PDE2A (0.36) KDM4EPDE2A
SCHEMBL18766880 0.69 HRH4 (0.47) IDH1HRH4

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 IDH1 246/4885MAP2 1594/4885KDM4E 537/4885

“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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