SCHEMBL2128185

SCHEMBL2128185

CC(=O)OCc1ncccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 1/20 0.45
PDE10A Q9Y233 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ATM Q13315 1/20 0.41
FFAR1 O14842 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL5499664 0.87 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMAPTNFKB1
SCHEMBL27856348 0.82 MAPT (0.52) ALDH1A1NPC1RAB9AMAPTNFKB1
Ethyl Acetate SCHEMBL29391722 0.81 RAB9A (0.48) ALDH1A1NPC1RAB9AMAPTNFKB1
SCHEMBL16856847 0.81 TDP1 (0.39) ALDH1A1NPC1RAB9AMAPTNFKB1
SCHEMBL27985685 0.80 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMAPTNFKB1
SCHEMBL6762893 0.78 LMNA (0.46) ALDH1A1NPC1RAB9AMAPTNFKB1
SCHEMBL5787352 0.77 MAPT (0.52) ALDH1A1NPC1RAB9AMAPTNFKB1
SCHEMBL30132805 0.77 MAPT (0.52) ALDH1A1NPC1RAB9AMAPTNFKB1
SCHEMBL15709862 0.77 LMNA (0.61) ALDH1A1NPC1RAB9AMAPTNFKB1
SCHEMBL4062858 0.76 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
EP-2443092-A1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS Pfizer Inc. (US) 2012-04-25 EP disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
WO-2010146488-A1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER INC. (US) 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B ALDH1A1 3989/4885NPC1 740/4885RAB9A 904/4885

“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.