SCHEMBL4964090

SCHEMBL4964090

CC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
NR1D1 P20393 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
F2 P00734 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GSTO1 P78417 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
DGAT1 O75907 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 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
SCHEMBL18530409 0.83 F2 (0.38) ALDH1A1MAPTLMNAF2NPC1
SCHEMBL11982930 0.83 ALDH1A1 (0.35) ALDH1A1NR1D1MAPTLMNANPC1
SCHEMBL7982682 0.81 F2 (0.40) F2DGAT1ADRB3
SCHEMBL27678360 0.81 ALDH1A1 (0.44) ALDH1A1NR1D1MAPTLMNACYP1A2
SCHEMBL120442 0.80 PPARG (0.41) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL6081269 0.79 ALDH1A1 (0.57) ALDH1A1NR1D1MAPTLMNACYP1A2
SCHEMBL30615551 0.77 F2 (0.38) F2DGAT1
SCHEMBL29580628 0.77 F2 (0.38) F2DGAT1
SCHEMBL8727987 0.77 ALDH1A1 (0.48) ALDH1A1NR1D1MAPTLMNACYP1A2
SCHEMBL11886585 0.76 MAPT (0.44) ALDH1A1MAPTCYP1A2CYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307407-B1 FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD (KR) 2016-03-16 EP disclosed
US-8178525-B2 FXA inhibitors with cyclic amidoxime or cyclic amidrazone as P4 subunit, processes for their preparations, and pharmaceutical compositions and derivatives thereof LEGOCHEM BIOSCIENCE LTD. (KR) 2012-05-15 US disclosed
US-20110112083-A1 FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2011-05-12 US disclosed
WO-2010002115-A2 FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-01-07 WO 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-20110112083-A1 FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF F12, F2, F11 ALDH1A1 4505/4885NR1D1 1222/4885MAPT 4867/4885

“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.