SCHEMBL4214992

SCHEMBL4214992

O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)CC1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.75
KMT2A Q03164 3/20 0.73
CYP2C19 P33261 1/20 0.73
DNMT3B Q9UBC3 1/20 0.73
PKM P14618 1/20 0.73
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.66
GAA P10253 1/20 0.63
STAT3 P40763 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 2/20 0.58
APAF1 O14727 1/20 0.58
POLB P06746 1/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.58
MPO P05164 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58

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
SCHEMBL1984728 0.92 DNMT1 (0.75) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL3081901 0.92 DNMT1 (0.75) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL2445932 0.92 DNMT1 (0.75) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL19244073 0.91 DNMT1 (0.73) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL2443777 0.91 DNMT1 (0.73) DNMT1KMT2ACYP2C19DNMT3BPKM
Tryptophan SCHEMBL8845198 0.86 KMT2A (0.71) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL23683013 0.86 DNMT1 (1.00) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL5291841 0.86 DNMT1 (1.00) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL5291835 0.86 DNMT1 (1.00) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL30167914 0.85 KMT2A (1.00) DNMT1KMT2ACYP2C19DNMT3BPKM

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-20090028796-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2009-01-29 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 (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-20090028796-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES IDO1, IDO2, INMT DNMT1 3057/4885KMT2A 3257/4885CYP2C19 3495/4885

“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.