SCHEMBL7093869

SCHEMBL7093869

C[C@@H](c1ccccc1)N1CC(COS(C)(=O)=O)CC1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
MAPK1 P28482 1/20 0.43
GRM5 P41594 1/20 0.37
P2RX3 P56373 2/20 0.36
BUB1 O43683 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2D6 P10635 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 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
SCHEMBL7096693 1.00 KMT2A (0.52) KMT2AMAPK1GRM5P2RX3BUB1
SCHEMBL34474138 0.85 KMT2A (0.47) KMT2AMAPK1ALDH1A1CYP2D6
SCHEMBL4714422 0.84 KMT2A (0.51) KMT2AMAPK1GRM5P2RX3ALDH1A1
SCHEMBL10306172 0.82 KMT2A (0.54) KMT2AMAPK1GRM5P2RX3ALDH1A1
SCHEMBL9682608 0.80 CYP2D6 (0.45) ALDH1A1CYP2D6
SCHEMBL28778762 0.80 KMT2A (0.52) KMT2AMAPK1GRM5P2RX3BUB1
SCHEMBL28778765 0.80 KMT2A (0.52) KMT2AMAPK1GRM5P2RX3BUB1
SCHEMBL28778767 0.80 KMT2A (0.52) KMT2AMAPK1GRM5P2RX3BUB1
SCHEMBL15850846 0.80 KMT2A (0.52) KMT2AMAPK1GRM5P2RX3ALDH1A1
SCHEMBL13495538 0.80 KMT2A (0.61) KMT2AMAPK1GRM5P2RX3ALDH1A1

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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 KMT2A 3440/4885MAPK1 544/4885GRM5 2861/4885

“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.