SCHEMBL3606475

SCHEMBL3606475

CCOC(=O)c1nc(-c2ccccc2)oc1CCl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 7/20 0.68
ALDH1A1 P00352 7/20 0.65
KDM4E B2RXH2 5/20 0.65
HPGD P15428 4/20 0.65
HSD17B10 Q99714 2/20 0.65
KMT2A Q03164 1/20 0.65
PDCD4 Q53EL6 1/20 0.53
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46
CDC7 O00311 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
F2 P00734 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL2486987 0.87 TARBP2 (0.68) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2794094 0.84 TARBP2 (0.71) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2485336 0.83 TARBP2 (0.94) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3616364 0.83 TARBP2 (0.62) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4499055 0.82 TARBP2 (0.73) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3611262 0.82 IKBKB (0.50) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1563637 0.81 TARBP2 (0.71) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28295518 0.81 TARBP2 (1.00) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2490988 0.81 TARBP2 (0.59) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27189076 0.80 TARBP2 (0.78) TARBP2ALDH1A1KDM4EHPGDHSD17B10

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-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors MUTABILIS SA (FR) 2010-01-28 US disclosed
EP-2104671-A2 SUBSTITUTED HETEROCYCLYLCARBONYLAMINO-ACETIC-ACID-DERIVATIVES AS INHIBITORS OF BACTERIAL HEPTOSE SYNTHESIS, METHODS FOR THEIR PREPARATION AND BIOLOGICAL APPLICATIONS OF SAID INHIBITORS Mutabilis SA (FR) 2009-09-30 EP disclosed
WO-2008038136-A2 SUBSTITUTED HETEROCYCLYLCARBONYLAMINO-ACETIC-ACID-DERIVATIVES AS INHIBITORS OF BACTERIAL HEPTOSE SYNTHESIS, METHODS FOR THEIR PREPARATION AND BIOLOGICAL APPLICATIONS OF SAID INHIBITORS MUTABILIS SA (FR) 2008-04-03 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-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors CBR1, OXER1, CBR3 TARBP2 3459/4885ALDH1A1 781/4885KDM4E 3851/4885

“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.