SCHEMBL2239009

SCHEMBL2239009

CN(Cc1cc(C(=O)N2CCN(CCc3ccncc3)CC2)co1)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
THRB P10828 4/20 0.50
POLB P06746 2/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.41
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL2236784 0.85 THRB (0.46) LMNATHRBPOLBMEN1KMT2A
SCHEMBL2240104 0.81 BDKRB1 (0.44) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL2237763 0.79 LSS (0.49) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL12346732 0.76 THRB (0.43) LMNATHRBPOLBMEN1KMT2A
SCHEMBL2237019 0.67 BDKRB1 (0.61) POLBKMT2AALDH1A1
SCHEMBL12082870 0.67 THRB (0.77) LMNATHRBPOLBMEN1KMT2A
SCHEMBL2237244 0.66 BDKRB1 (0.53) POLBKMT2AKDM4EALDH1A1
SCHEMBL2236607 0.65 ALDH1A1 (0.35) LMNAPOLBMEN1KMT2AKDM4E
SCHEMBL8153546 0.63 THRB (0.63) LMNATHRBPOLBMEN1KMT2A
SCHEMBL2238795 0.63 BDKRB1 (0.62) KDM4EALDH1A1

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 LMNA 594/4885THRB 391/4885POLB 2370/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 LMNA 704/4885THRB 421/4885POLB 2675/4885

“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.