SCHEMBL756589

SCHEMBL756589

O=Cc1ccc(Oc2ccc(Br)cc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
KIF11 P52732 1/20 0.41
TTR P02766 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR4 O95977 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
MAOA P21397 1/20 0.36
CYP2A6 P11509 1/20 0.36
EPAS1 Q99814 1/20 0.35
NR3C1 P04150 1/20 0.34
DRD1 P21728 1/20 0.34
KDM1A O60341 2/20 0.34

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
SCHEMBL24181290 0.84 L3MBTL1 (0.46) SLC6A4KIF11TTRALDH1A1KDM4E
SCHEMBL17508141 0.84 KIF11 (0.45) KIF11TTRALDH1A1KDM4ELMNA
SCHEMBL2543957 0.82 CRHBP (0.43) SLC6A4ALDH1A1LMNASMN1; SMN2EPAS1
SCHEMBL756643 0.82 CRHBP (0.43) SLC6A4ALDH1A1LMNASMN1; SMN2EPAS1
SCHEMBL2381869 0.81 ALDH1A1 (0.54) TTRALDH1A1LMNASMN1; SMN2
SCHEMBL29452380 0.80 SLC6A4 (0.46) SLC6A4KIF11LMNASMN1; SMN2MAOA
SCHEMBL11210251 0.80 SLC6A4 (0.46) SLC6A4KIF11LMNASMN1; SMN2MAOA
SCHEMBL9762708 0.80 TTR (0.42) SLC6A4TTRALDH1A1KDM4ELMNA
SCHEMBL29452473 0.79 APP (0.44) KIF11TTRALDH1A1KDM4EPARP10
SCHEMBL3903338 0.79 TTR (0.59) KIF11TTRALDH1A1KDM4ELMNA

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 SLC6A4 2203/4885KIF11 2978/4885TTR 3260/4885

“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.