SCHEMBL5285260

SCHEMBL5285260

COc1cc([N+](=O)[O-])ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.78
HTT P42858 1/20 0.78
GAA P10253 2/20 0.67
ATM Q13315 1/20 0.61
ALDH1A1 P00352 7/20 0.60
GLA P06280 1/20 0.60
EPHX1 P07099 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 2/20 0.58
KCNMA1 Q12791 1/20 0.58
MAPT P10636 1/20 0.57
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL6349776 0.90 MEN1 (0.63) PKMHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL2069934 0.88 PKM (1.00) PKMHTTGAAATMALDH1A1
SCHEMBL1954190 0.84 CXCR1 (0.54) PKMHTTGAAATMALDH1A1
SCHEMBL15160073 0.84 HTT (0.53) PKMHTTGAAALDH1A1SMN1; SMN2
SCHEMBL28573397 0.84 NPC1 (0.60) PKMHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL16603070 0.84 PKM (0.72) PKMHTTGAAALDH1A1GLA
SCHEMBL6162009 0.83 PKM (0.53) PKMHTTGAAATMALDH1A1
SCHEMBL2831541 0.83 MAPT (0.53) PKMHTTGAAALDH1A1GLA
SCHEMBL3010106 0.83 HTT (0.52) PKMHTTGAAATMALDH1A1
SCHEMBL29053787 0.83 GAA (0.56) PKMHTTGAAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884063-B2 Amido-substituted azole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 US disclosed
US-9884063-B2 Amido-substituted azole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 US disclosed
US-20170020886-A1 AMIDO-SUBSTITUTED AZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
WO-2015150449-A2 AMIDO-SUBSTITUTED AZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 WO disclosed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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 (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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 PKM 2287/4885HTT 846/4885GAA 569/4885
US-20170020886-A1 AMIDO-SUBSTITUTED AZOLE COMPOUNDS TNK1, TNNI3K, TNKS PKM 646/4885HTT 3197/4885GAA 2076/4885

“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.