SCHEMBL23647010

SCHEMBL23647010

COC(=O)C1CC(=NNC(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
KMT2A Q03164 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
ALDH1A1 P00352 3/20 0.34
BUB1 O43683 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 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
SCHEMBL21562864 0.80 ALDH1A1 (0.54) BRD4KMT2AALDH1A1MAPT
SCHEMBL25839429 0.76 BRD4 (0.44) BRD4KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL23728429 0.75 ALDH1A1 (0.48) KMT2AALDH1A1MAPT
SCHEMBL20583598 0.72 ALDH1A1 (0.31) KMT2AALDH1A1
SCHEMBL18989265 0.72 ALDH1A1 (0.35) KMT2AALDH1A1TP53
SCHEMBL872959 0.69
SCHEMBL9957179 0.67
SCHEMBL11791130 0.67 BRD4 (0.40) BRD4KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL536252 0.66 BRD4 (0.50) BRD4KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL7345401 0.65

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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, TYMP, HAVCR2 BRD4 608/4885KMT2A 3615/4885CHRNB2 4878/4885

“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.