SCHEMBL22957879

SCHEMBL22957879

BN(C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8101247 0.69 MEN1 (0.33) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL19473680 0.69 MEN1 (0.33) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL19976026 0.69
SCHEMBL1106444 0.67
SCHEMBL20133824 0.67 MEN1 (0.33) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL13910253 0.67 MEN1 (0.32) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL5543091 0.67 MEN1 (0.32) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL19091449 0.65 MEN1 (0.34) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL19353710 0.65 MEN1 (0.34) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL16944043 0.65 ALDH1A1 (0.39) MEN1CYP3A4CYP2C9CYP2C19KMT2A

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-20230219895-A1 OXYNITIDINE DERIVATIVES USEFUL AS INHIBITORS OF TOPOISOMERASE IB (TOP1) AND TYROSYL-DNA PHOSPHODIESTERASE 1 (TDP1) SHENZHEN XUHUA BIOTECH CO. LTD. (CN) 2023-07-13 US disclosed
US-10912836-B2 Synthetic antibody mimetic compounds (SyAMs) targeting cancer, especially prostate cancer YALE UNIVERSITY (US) 2021-02-09 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-10912836-B2 Synthetic antibody mimetic compounds (SyAMs) targeting cancer, especially prostate cancer CD47, FCGR1A, FCGR2A MEN1 1222/4885CYP3A4 3347/4885CYP2C9 3854/4885
US-20230219895-A1 OXYNITIDINE DERIVATIVES USEFUL AS INHIBITORS OF TOPOISOMERASE IB (TOP1) AND TYROSYL-DNA PHOSPHODIESTERASE 1 (TDP1) TDP1, TOP1, TOP2A MEN1 3797/4885CYP3A4 1442/4885CYP2C9 947/4885

“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.