SCHEMBL2239167

SCHEMBL2239167

COc1cc(C)c(S(=O)(=O)N(C)Cc2nnc(C(=O)N3CCN(Cc4ccc(Cl)nc4)CC3)o2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ATM Q13315 2/20 0.45
MEN1 O00255 1/20 0.45
BDKRB1 P46663 6/20 0.41
MCHR1 Q99705 5/20 0.40
KCNH2 Q12809 4/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
WNK1 Q9H4A3 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
SCHEMBL12347367 0.92 MCHR1 (0.46) BDKRB1MCHR1KCNH2
SCHEMBL12347370 0.89 PPARD (0.44) BDKRB1MCHR1KCNH2ALDH1A1TSHR
SCHEMBL12347369 0.89 MCHR1 (0.42) BDKRB1MCHR1KCNH2ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL2240111 0.87 MCHR1 (0.42) BDKRB1MCHR1
Trifluoroacetic Acid SCHEMBL2238978 0.86 PPARD (0.46) BDKRB1MCHR1ALDH1A1TSHRLMNA
SCHEMBL2242580 0.86 BDKRB1 (0.42) KMT2AMEN1BDKRB1MCHR1KCNH2
SCHEMBL2242220 0.86 FAAH (0.51)
Trifluoroacetic Acid SCHEMBL2242265 0.84 PPARA (0.41) BDKRB1MCHR1KCNH2
SCHEMBL1935724 0.82 BDKRB1 (0.45) BDKRB1MCHR1KCNH2
SCHEMBL2237788 0.81 BDKRB1 (0.44) BDKRB1MCHR1KCNH2

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 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 KMT2A 1859/4885ATM 2956/4885MEN1 231/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 KMT2A 2057/4885ATM 3123/4885MEN1 349/4885

“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.