SCHEMBL23029099

SCHEMBL23029099

Cc1cn(C)c(=O)n(C(C)(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.31
HPD P32754 1/20 0.31
KMT2A Q03164 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
BRD7 Q9NPI1 1/20 0.30

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
SCHEMBL23762804 0.81 ALDH1A1 (0.31) LMNAALDH1A1MAPT
SCHEMBL24952481 0.80 KMT2A (0.34) KMT2A
SCHEMBL23762803 0.76
SCHEMBL14491564 0.71 BRD4 (0.36) BRD4LMNAALDH1A1POLBL3MBTL1
SCHEMBL19235507 0.71 BRD4 (0.36) BRD4LMNAALDH1A1POLBL3MBTL1
SCHEMBL18937487 0.70 BRD4 (0.35) BRD4LMNAALDH1A1POLBL3MBTL1
SCHEMBL9117924 0.69 BRD4 (0.33) BRD4LMNAALDH1A1POLBL3MBTL1
SCHEMBL24616657 0.68
SCHEMBL18937212 0.68 L3MBTL1 (0.35) BRD4LMNAALDH1A1POLBL3MBTL1
SCHEMBL7964135 0.68 BRD4 (0.35) BRD4LMNAALDH1A1POLBL3MBTL1

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-11578069-B2 Compounds for inhibition of α4 β7 integrin GILEAD SCIENCES, INC. (US) 2023-02-14 US disclosed
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2021-02-25 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-11578069-B2 Compounds for inhibition of α4 β7 integrin ITGB7, ITGB4, ITGA4 BRD4 1474/4885LMNA 3368/4885ALDH1A1 830/4885
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 BRD4 1725/4885LMNA 2467/4885ALDH1A1 796/4885

“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.