SCHEMBL753907

SCHEMBL753907

N#Cc1ccc(Oc2ccccc2Cl)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.75
SLC22A12 Q96S37 8/20 0.49
LMNA P02545 1/20 0.49
ADRB2 P07550 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PGR P06401 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
SLC22A11 Q9NSA0 1/20 0.45
TRPV4 Q9HBA0 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44

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
SCHEMBL13890551 0.90 AR (0.75) ARSLC22A12POLBGAACYP3A4
SCHEMBL4175953 0.86 AR (1.00) ARSLC22A12POLBGAAPGR
SCHEMBL4178023 0.86 AR (0.74) ARSLC22A12POLBGAAPGR
SCHEMBL4175939 0.83 AR (0.66) ARSLC22A12POLBGAAPGR
SCHEMBL4174256 0.83 AR (0.66) ARSLC22A12LMNAADRB2SMN1; SMN2
SCHEMBL4184922 0.83 AR (0.65) ARSLC22A12PGRTRPV4
SCHEMBL4188116 0.82 AR (0.68) ARSLC22A12POLBGAAPGR
SCHEMBL4172657 0.82 AR (0.68) ARSLC22A12POLBGAAPGR
SCHEMBL22342512 0.82 AR (1.00) AR
SCHEMBL4183164 0.82 AR (0.71) ARSLC22A12

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-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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 (1 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB AR 1729/4885SLC22A12 2639/4885LMNA 1305/4885

“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.