SCHEMBL2000832

SCHEMBL2000832

CCOC(=O)c1nc(C)c2cc(Br)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 3/20 0.62
ATM Q13315 2/20 0.54
MAPT P10636 3/20 0.53
GAA P10253 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 2/20 0.47
MPO P05164 1/20 0.47
ELANE P08246 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL18895359 0.88 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1ATMMAPTGAA
SCHEMBL5810083 0.81 ATM (0.79) SMN1; SMN2ALDH1A1ATMMAPTGAA
SCHEMBL10249474 0.80 POLB (0.64) SMN1; SMN2ALDH1A1MAPTGAAKDM4E
SCHEMBL31442611 0.80 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1ATMMAPTGAA
SCHEMBL34470987 0.79 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1ATMMAPTGAA
SCHEMBL163814 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1ATMMAPTGAA
SCHEMBL18488353 0.78 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1ATMMAPTGAA
SCHEMBL21865491 0.78 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1ATMMAPTGAA
SCHEMBL1999627 0.78 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1ATMMAPTGAA
SCHEMBL25217075 0.77 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1ATMMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015162538-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS FOR THE TREATMENT OF HYPERPARATHYROIDISM, CHRONIC RENAL FAILURE AND CHRONIC KIDNEY DISEASE LUPIN LIMITED (IN) 2015-10-29 WO disclosed
WO-2015162538-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS FOR THE TREATMENT OF HYPERPARATHYROIDISM, CHRONIC RENAL FAILURE AND CHRONIC KIDNEY DISEASE LUPIN LIMITED (IN) 2015-10-29 WO disclosed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
EP-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 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 (2 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-20100120775-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 SMN1; SMN2 4771/4885ALDH1A1 2326/4885ATM 3314/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 SMN1; SMN2 4771/4885ALDH1A1 2326/4885ATM 3314/4885

“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.