SCHEMBL418198

SCHEMBL418198

CCC(O[Si](C)(C)C(C)(C)C)C1CCC(c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)(C(NC(=O)O)C(C)(C)C)CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNE1 P15382 1/20 0.33
CCR1 P32246 1/20 0.33
KCNQ1 P51787 1/20 0.33
OPRL1 P41146 1/20 0.32
EGLN1 Q9GZT9 2/20 0.32
KCNH2 Q12809 1/20 0.31
CYP2C9 P11712 1/20 0.31
ERCC1 P07992 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 1/20 0.30
PPARG P37231 1/20 0.30
TP53 P04637 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
SCHEMBL417706 0.89 MAPK1 (0.38) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL3812582 0.82 MEN1 (0.36) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL418199 0.82 MEN1 (0.35) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL418436 0.72 ERCC1 (0.40) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL418434 0.72 ERCC1 (0.40) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL417707 0.70 KCNH2 (0.36) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL10143680 0.70 MEN1 (0.38) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL416352 0.69 ERCC1 (0.42) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL416354 0.69 ERCC1 (0.42) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL421834 0.68 KCNH2 (0.44) MEN1LMNATSHRMAPK1KMT2A

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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS VENKATRAMAN SHANKAR (US) 2012-01-26 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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS CCND3, CDK3, CDK2 MEN1 3274/4885LMNA 574/4885TSHR 4412/4885

“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.