SCHEMBL1936191

SCHEMBL1936191

CCOC(=O)C(=O)NNC(=O)CN(C1CC1)S(=O)(=O)c1c(C)cc(OC)cc1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
BDKRB1 P46663 11/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3237884 0.89 USP2 (0.41) KMT2AMEN1USP2MAPTBDKRB1
SCHEMBL1935333 0.84 MAPK1 (0.44) KMT2AMAPTBDKRB1ALDH1A1CYP3A4
SCHEMBL938115 0.82 MEN1 (0.51) KMT2AMEN1USP2MAPTBDKRB1
SCHEMBL2236993 0.82 USP2 (0.43) KMT2AMEN1USP2MAPTBDKRB1
SCHEMBL1936190 0.80 MEN1 (0.45) KMT2AMEN1USP2MAPTBDKRB1
SCHEMBL937908 0.79 MEN1 (0.48) KMT2AMEN1USP2MAPTBDKRB1
SCHEMBL16611857 0.78 HPGD (0.44) KMT2AMEN1ALDH1A1CYP3A4HPGD
SCHEMBL1936197 0.78 MEN1 (0.46) KMT2AMEN1USP2MAPTBDKRB1
SCHEMBL1936194 0.77 MEN1 (0.42) KMT2AMEN1USP2MAPTBDKRB1
SCHEMBL2236591 0.75 MEN1 (0.41) KMT2AMEN1USP2MAPTBDKRB1

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-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-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

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 KMT2A 1859/4885MEN1 231/4885USP2 4171/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 KMT2A 2057/4885MEN1 349/4885USP2 3985/4885

“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.