SCHEMBL1353061

SCHEMBL1353061

O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CCCCCC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
LMNA P02545 5/20 0.66
NOD2 Q9HC29 1/20 0.66
ALDH1A1 P00352 11/20 0.64
HPGD P15428 2/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 4/20 0.61
MAPK1 P28482 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.55
L3MBTL3 Q96JM7 1/20 0.55
GAA P10253 3/20 0.55
GPR174 Q9BXC1 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MITF O75030 1/20 0.53

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
SCHEMBL20456913 1.00 HTT (0.66) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL3373208 0.87 HTT (0.60) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL10240070 0.87 SMN1; SMN2 (0.63) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL30501408 0.86 GAA (0.72) HTTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL20597980 0.86 GAA (0.72) HTTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL17747815 0.85 SMN1; SMN2 (0.61) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL30361494 0.85 ALDH1A1 (0.50) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL1354636 0.83 SMN1; SMN2 (0.59) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL10126443 0.83 GAA (0.76) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL5754852 0.83 L3MBTL1 (0.69) HTTSMN1; SMN2LMNANOD2ALDH1A1

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 6 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
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 HTT 145/4885SMN1; SMN2 834/4885LMNA 3802/4885

“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.