SCHEMBL2236607

SCHEMBL2236607

CCc1cc(Br)ccc1S(=O)(=O)N(C)Cc1cc(C(=O)N2CCCN(CCCN3CCCC3)CC2)co1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC29A1 Q99808 1/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
PTPN1 P18031 1/20 0.34
TP53 P04637 1/20 0.33
PARP1 P09874 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1935311 0.78 PTPN1 (0.43) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL2237836 0.75 CHRM3 (0.42) ALDH1A1LMNAHPGDPTPN1CNR2
SCHEMBL1936358 0.74 LMNA (0.41) ALDH1A1LMNAPOLBKMT2APTPN1
SCHEMBL2236092 0.72 BDKRB1 (0.51) TSHR
SCHEMBL12346739 0.70 BDKRB1 (0.42) LMNASIGMAR1SLC29A1KMT2AMEN1
SCHEMBL12346738 0.68 BDKRB1 (0.43) LMNASIGMAR1KMT2AMEN1TSHR
Trifluoroacetic Acid SCHEMBL2243351 0.66 BDKRB1 (0.39) ALDH1A1SLC29A1KMT2AMEN1
SCHEMBL2238092 0.66 BDKRB1 (0.50) ALDH1A1KDM4EPOLBTP53TSHR
SCHEMBL2239009 0.65 LMNA (0.54) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL2236784 0.64 THRB (0.46) LMNAPOLBKMT2AMEN1

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-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US claimed
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
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 ALDH1A1 3283/4885KDM4E 2806/4885LMNA 594/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ALDH1A1 3363/4885KDM4E 2968/4885LMNA 704/4885

“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.