SCHEMBL9969768

SCHEMBL9969768

CC(C)(C)[Si](C)(C)OCCc1ccc(/C(N)=N/O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.35
GFER P55789 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
F10 P00742 1/20 0.34
RECQL P46063 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
BMP1 P13497 1/20 0.34

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
SCHEMBL12940356 1.00 RAB9A (0.43) RAB9AGAALMNANPC1MAPT
SCHEMBL4741957 0.78 ALDH1A1 (0.44) MAPTKMT2AMEN1ALDH1A1
SCHEMBL10514353 0.78 DUT (0.33) RAB9ANPC1MAPTDUT
SCHEMBL2821530 0.77 ESR1 (0.45) RAB9ALMNANPC1MAPTTP53
SCHEMBL2142371 0.77 PPARA (0.42) GAAMAPTDUTKDM4EALDH1A1
SCHEMBL24197444 0.77 TAAR1 (0.44) KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL2366928 0.77 GFER (0.45) RAB9ANPC1MAPTTP53GFER
SCHEMBL17361238 0.77 PPARG (0.36) RAB9AGAANPC1MAPTKMT2A
SCHEMBL2696466 0.75 CYP1A2 (0.41) RAB9ANPC1DUT
SCHEMBL5344182 0.74 DUT (0.34) DUT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC RAB9A 2983/4885GAA 920/4885LMNA 1265/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 RAB9A 1747/4885GAA 2023/4885LMNA 2404/4885

“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.