SCHEMBL1355199

SCHEMBL1355199

CCN(C(=O)c1ccc(C(C)=O)c([N+](=O)[O-])c1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
HSD11B1 P28845 1/20 0.47
HTT P42858 5/20 0.46
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
BRD4 O60885 1/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
HCAR3 P49019 1/20 0.40
USP2 O75604 1/20 0.40
ADORA2A P29274 1/20 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
SCHEMBL1355447 0.88 KMT2A (0.47) KMT2AHSD11B1HTTALDH1A1NPSR1
SCHEMBL1356183 0.86 KMT2A (0.50) KMT2AHSD11B1HTTALDH1A1NPSR1
SCHEMBL3454934 0.85 ALDH1A1 (0.62) KMT2AHSD11B1HTTALDH1A1NPSR1
SCHEMBL1355172 0.85 KMT2A (0.49) KMT2AHSD11B1HTTALDH1A1NPSR1
SCHEMBL1355340 0.84 HSD11B1 (0.49) KMT2AHSD11B1HTTALDH1A1NPSR1
SCHEMBL1354645 0.83 HSD11B1 (0.53) KMT2AHSD11B1ALDH1A1NPC1LMNA
SCHEMBL1355162 0.81 TSHR (0.53) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL1354697 0.81 HSD11B1 (0.54) KMT2AHSD11B1GAANPC1LMNA
SCHEMBL1354647 0.79 TSHR (0.60) KMT2AHSD11B1HTTALDH1A1NPSR1
SCHEMBL27978949 0.78 MAPT (0.60) KMT2AHSD11B1HTTALDH1A1NPSR1

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-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
CN-102365280-B adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2014-10-29 CN disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
EP-2391625-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF Domain Therapeutics (FR) 2011-12-07 EP disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
WO-2010084425-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2010-07-29 WO disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP 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-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF ADORA2A, ADORA1, ADORA2B KMT2A 1728/4885HSD11B1 2224/4885HTT 145/4885

“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.