SCHEMBL1819031

SCHEMBL1819031

CC(C)N(C(=O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
HSD11B1 P28845 2/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RORC P51449 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL10281469 0.75 L3MBTL1 (0.51) HSD11B1KMT2AMEN1MAPTALDH1A1
SCHEMBL29948544 0.73 KMT2A (0.46) PDK1PDK2PDK3PDK4HSD11B1
SCHEMBL9714022 0.71 HSD17B10 (0.60) KMT2AMEN1HSD17B10MAPTALDH1A1
SCHEMBL8877704 0.71 HSD17B10 (0.51) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL2709580 0.70 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL9022132 0.69 HSD17B10 (0.53) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL20888874 0.69 TDP1 (0.45) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL29534093 0.68 HSD17B10 (0.45) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL12031273 0.68 HSD17B10 (0.45) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL20438391 0.68 ALDH1A1 (0.50) HSD17B10MAPTALDH1A1USP2HPGD

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-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD PDK1 4272/4885PDK2 4242/4885PDK3 3741/4885

“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.