SCHEMBL6762893

SCHEMBL6762893

CC(=O)CCc1ncccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 5/20 0.46
FFAR1 O14842 1/20 0.44
PDE10A Q9Y233 1/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 6/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PAX8 Q06710 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL13397400 0.84 LMNA (0.62) LMNAALDH1A1FFAR1POLBMAPT
SCHEMBL5499664 0.82 ALDH1A1 (0.50) LMNAALDH1A1FFAR1PDE10APOLB
SCHEMBL6369459 0.81 PDE10A (0.49) LMNAALDH1A1FFAR1PDE10APOLB
SCHEMBL9591091 0.81 PKM (0.52) ALDH1A1PDE10APOLBCYP1A2TSHR
SCHEMBL9656794 0.81 FFAR1 (0.52) LMNAALDH1A1FFAR1PDE10APOLB
SCHEMBL29897585 0.80 PDE10A (0.51) LMNAALDH1A1PDE10APOLBCYP1A2
SCHEMBL1737478 0.80 PDE10A (0.51) LMNAALDH1A1PDE10APOLBCYP1A2
SCHEMBL8561983 0.80 ALDH1A1 (0.50) LMNAALDH1A1PDE10APOLBCYP1A2
SCHEMBL27637865 0.79 FFAR1 (0.45) LMNAALDH1A1FFAR1PDE10APOLB
SCHEMBL2128185 0.78 ALDH1A1 (0.51) LMNAALDH1A1FFAR1PDE10APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US 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 LMNA 4123/4885ALDH1A1 3989/4885FFAR1 3331/4885

“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.