SCHEMBL3260324

SCHEMBL3260324

O=C(O)NCCCc1ccc(C2=NCCN2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 9/20 0.60
PPARG P37231 1/20 0.50
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
BDKRB1 P46663 2/20 0.42

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
SCHEMBL1936166 0.92 NISCH (0.58) NISCHPPARGBLMTDP1LMNA
SCHEMBL5124715 0.86 NISCH (0.48) NISCHPPARGBDKRB1
SCHEMBL15514295 0.83 NISCH (0.56) NISCHPPARGBLMTDP1LMNA
SCHEMBL5125919 0.76 NISCH (0.51) NISCHPPARGTDP1LMNARECQL
SCHEMBL5798100 0.76 NISCH (0.61) NISCHPPARGLMNARECQLTOP2A
SCHEMBL25606151 0.76 PPARG (0.74) NISCHPPARGBLMTDP1LMNA
SCHEMBL14599619 0.76 FDPS (0.53) NISCHPPARGBLMTDP1
SCHEMBL14599622 0.76 FDPS (0.53) NISCHPPARGBLMTDP1
SCHEMBL14599608 0.76 FDPS (0.53) NISCHPPARGBLMTDP1
SCHEMBL5124127 0.75 NISCH (0.53) NISCHPPARGLMNA

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 5 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
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 US 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-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 NISCH 380/4885PPARG 2609/4885BLM 1336/4885
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NISCH 337/4885PPARG 4773/4885BLM 2339/4885

“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.