SCHEMBL14048017

SCHEMBL14048017

CCCCOc1cc(OCCCC)c(/C(=N/N)Nc2ccc(CN3CCOCC3)cc2)cc1CC#C[Si](C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
LMNA P02545 1/20 0.40
TLR7 Q9NYK1 2/20 0.40
POLB P06746 2/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14029845 0.89 PTGER1 (0.47) RAB9ANPC1TP53HPGDSMN1; SMN2
SCHEMBL14048018 0.89 L3MBTL1 (0.54) L3MBTL1RAB9AMEN1NPC1TP53
SCHEMBL14048020 0.89 L3MBTL1 (0.45) L3MBTL1RAB9AMEN1NPC1TP53
SCHEMBL14029824 0.81 POLB (0.40) L3MBTL1KMT2ACACNA1BAPBA1SAE1
SCHEMBL14029848 0.77 PTGER1 (0.55) L3MBTL1RAB9ANPC1TP53KMT2A
SCHEMBL14029847 0.77 PTGER1 (0.48) RAB9ANPC1HPGDKMT2ASMN1; SMN2
SCHEMBL14930826 0.73 NPC1 (0.42) L3MBTL1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL14924974 0.73 SMN1; SMN2 (0.43) RAB9ANPC1TSHRKMT2ASMN1; SMN2
SCHEMBL14048015 0.72 RAB9A (0.42) RAB9AMEN1NPC1TP53HPGD
SCHEMBL14048068 0.70 MAPT (0.51) L3MBTL1RAB9AMEN1NPC1KMT2A

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-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 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-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 L3MBTL1 2011/4885RAB9A 2218/4885MEN1 4815/4885
US-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 L3MBTL1 1933/4885RAB9A 2538/4885MEN1 4757/4885

“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.