SCHEMBL1355447

SCHEMBL1355447

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
HSD11B1 P28845 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 5/20 0.44
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 3/20 0.44
GAA P10253 2/20 0.44
BRD4 O60885 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.40
ADORA2A P29274 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 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
SCHEMBL1355199 0.88 KMT2A (0.48) KMT2AHSD11B1TSHRHTTALDH1A1
SCHEMBL1355172 0.84 KMT2A (0.49) KMT2AHSD11B1TSHRHTTALDH1A1
SCHEMBL1355140 0.84 HSD11B1 (0.50) KMT2AHSD11B1TSHRALDH1A1BRD4
SCHEMBL1356183 0.83 KMT2A (0.50) KMT2AHSD11B1TSHRHTTALDH1A1
SCHEMBL3454934 0.82 ALDH1A1 (0.62) KMT2AHSD11B1TSHRHTTALDH1A1
SCHEMBL1355477 0.82 TSHR (0.53) KMT2AHSD11B1TSHRALDH1A1BRD4
SCHEMBL1353078 0.82 HSD11B1 (0.51) KMT2AHSD11B1TSHRGAABRD4
SCHEMBL1355340 0.81 HSD11B1 (0.49) KMT2AHSD11B1TSHRHTTALDH1A1
SCHEMBL1354663 0.81 TSHR (0.59) KMT2AHSD11B1TSHRHTTALDH1A1
SCHEMBL1356197 0.79 HSD11B1 (0.60) KMT2AHSD11B1TSHRBRD4MEN1

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 KMT2A 1728/4885HSD11B1 2224/4885TSHR 650/4885

“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.