SCHEMBL209226

SCHEMBL209226

Cc1cc(NC(=O)CBr)on1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
ADORA2B P29275 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
VHL P40337 1/20 0.50
GLA P06280 1/20 0.49
PKM P14618 1/20 0.48
EPHX2 P34913 1/20 0.47
LMNA P02545 1/20 0.46
ROCK1 Q13464 1/20 0.44
HTR2C P28335 2/20 0.44
HCAR2 Q8TDS4 1/20 0.42
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.41
ATF1 P18846 1/20 0.41
NFKB1 P19838 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL17833337 0.84 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2ADORA2BADORA3ADORA2A
SCHEMBL6431541 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2ADORA2BADORA3ADORA2A
SCHEMBL12630133 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2ADORA2BADORA3ADORA2A
SCHEMBL1896996 0.80 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2ADORA2BADORA3ADORA2A
SCHEMBL16848164 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2ADORA2BADORA3ADORA2A
SCHEMBL1430802 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2ADORA2BADORA3ADORA2A
SCHEMBL11775192 0.77 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2ADORA2BADORA3ADORA2A
SCHEMBL19987400 0.77 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2ADORA2BADORA3ADORA2A
SCHEMBL2625562 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2ADORA2BADORA3ADORA2A
SCHEMBL22885243 0.75 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2ADORA2BADORA3ADORA2A

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
CN-101535306-B Quinuclidine derivatives of (hetero) arylcycloheptylcarboxylic acids as muscarinic receptor antagonists ASTRAZENECA AB 2012-09-12 CN disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
CN-101535306-A Quinuclidine derivatives of (hetero) arylcycloheptylcarboxylic acids as muscarinic receptor antagonists ASTRAZENECA AB (SE) 2009-09-16 CN disclosed
EP-2094694-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008059245-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed
WO-2008059245-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 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 (3 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA ALDH1A1 3015/4885SMN1; SMN2 3132/4885ADORA2B 3202/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 ALDH1A1 1514/4885SMN1; SMN2 4330/4885ADORA2B 239/4885
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ALDH1A1 2159/4885SMN1; SMN2 4780/4885ADORA2B 51/4885

“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.