SCHEMBL5639792

SCHEMBL5639792

C[Sn](C)(C)c1nc(C2CCCCN2)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA4 P43681 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
BAZ2A Q9UIF9 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
CHRM2 P08172 3/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32

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
SCHEMBL8222117 0.77 SMN1; SMN2 (0.46) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL5639789 0.73 BAZ2A (0.42) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL8221171 0.71 RAB9A (0.47) CHRNB2CHRNA7CHRNA4SMN1; SMN2
SCHEMBL30555379 0.71 RAB9A (0.47) CHRNB2CHRNA7CHRNA4SMN1; SMN2
SCHEMBL2306060 0.71 SMN1; SMN2 (0.44) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL2306066 0.71 SMN1; SMN2 (0.44) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL2310395 0.69 KDM4E (0.46) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL2310391 0.69 KDM4E (0.46) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL2311560 0.68 CPT2 (0.47) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL2311565 0.68 CPT2 (0.47) MEN1CYP2D6CYP2C19KMT2ACHRNB2

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-7173137-B2 Epothilone analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-06 US disclosed
US-20040127432-A1 Epothilone analogs THE SCRIPPS RESEARCH INSTITUTE 2004-07-01 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-20040127432-A1 Epothilone analogs TUBB8B, TUBB1, TUBA1B MEN1 1099/4885CYP2D6 3348/4885CYP2C19 4540/4885

“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.