SCHEMBL782891

SCHEMBL782891

CCCn1c(=O)oc2ccc(Br)cc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
CBX7 O95931 1/20 0.50
CDYL2 Q8N8U2 1/20 0.50
CDYL Q9Y232 1/20 0.50
CDY1; CDY1B Q9Y6F8 1/20 0.50
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.47
KMO O15229 2/20 0.46
RAB9A P51151 3/20 0.45
IDO1 P14902 1/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
PTGS2 P35354 1/20 0.44
CD74 P04233 1/20 0.43
MIF P14174 1/20 0.43

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
SCHEMBL30336433 0.87 SIGMAR1 (0.53) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL616373 0.87 SIGMAR1 (0.53) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL26614669 0.84 SIGMAR1 (0.54) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL21985831 0.84 SIGMAR1 (0.58) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL289808 0.84 SIGMAR1 (0.54) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL16932268 0.84 SIGMAR1 (0.63) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL30214704 0.84 SIGMAR1 (0.54) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL30336161 0.84 SIGMAR1 (0.63) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL289120 0.81 SIGMAR1 (0.58) SIGMAR1ALDH1A1NPC1KMORAB9A
SCHEMBL25866127 0.81 CBX7 (0.52) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430018-B1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
EP-2430018-B1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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 (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-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 SIGMAR1 2429/4885CBX7 1692/4885CDYL2 3203/4885

“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.