SCHEMBL1936052

SCHEMBL1936052

CNS(=O)(=O)c1c(C)cc(OC)cc1COC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.40
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
CYTH2 Q99418 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
ABL1 P00519 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
RIN1 Q13671 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BACE1 P56817 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1936254 0.84 CYP3A4 (0.40) FFAR4CYP3A4HPGDCYTH2ALDH1A1
SCHEMBL1935802 0.78 ALDH1A1 (0.51) FFAR4CYP3A4HPGDCYTH2ALDH1A1
SCHEMBL10603090 0.72 KDM4E (0.45) CYP3A4HPGDALDH1A1KDM4EPOLB
SCHEMBL3916746 0.71 POLB (0.46) CYP3A4HPGDALDH1A1KDM4EPOLB
SCHEMBL14700517 0.69 RAPGEF4 (0.46) FFAR4CYP3A4HPGDALDH1A1PKM
SCHEMBL10732769 0.68 CYP1A2 (0.42) CYP3A4HPGDALDH1A1MTNR1AMTNR1B
SCHEMBL10246261 0.66 SMN1; SMN2 (0.48) FFAR4CYP3A4HPGDALDH1A1KDM4E
SCHEMBL13034128 0.65 HSD17B10 (0.61) ALDH1A1MTNR1AMTNR1BHSD17B10KMT2A
SCHEMBL10734253 0.65 KDM4E (0.39) CYP3A4HPGDALDH1A1KDM4EPOLB
SCHEMBL10734440 0.65 KDM4E (0.39) CYP3A4HPGDALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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 (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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 FFAR4 2167/4885CYP3A4 1612/4885HPGD 540/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 FFAR4 2068/4885CYP3A4 1484/4885HPGD 577/4885

“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.