SCHEMBL756643

SCHEMBL756643

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SLC6A4 P31645 1/20 0.40
HPGD P15428 4/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
GFER P55789 2/20 0.37
MAPK1 P28482 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2543957 1.00 CRHBP (0.43) CRHBPCRHR2SLC6A4HPGDTSHR
SCHEMBL756589 0.82 SLC6A4 (0.43) SLC6A4ALDH1A1LMNASMN1; SMN2EPAS1
SCHEMBL29452380 0.80 SLC6A4 (0.46) SLC6A4HPGDLMNAMAPTMEN1
SCHEMBL11210251 0.80 SLC6A4 (0.46) SLC6A4HPGDLMNAMAPTMEN1
SCHEMBL754458 0.79 LMNA (0.45) CRHBPCRHR2HPGDTSHRALDH1A1
SCHEMBL2545532 0.79 LMNA (0.45) CRHBPCRHR2HPGDTSHRALDH1A1
SCHEMBL8122195 0.74 SLC6A4 (0.43) SLC6A4TSHRALDH1A1L3MBTL1MAPK1
SCHEMBL12239027 0.73 ST14 (0.46) SLC6A4L3MBTL1LMNAMAPTRAB9A
SCHEMBL1436520 0.71 HPGD (0.44) HPGDTSHRALDH1A1L3MBTL1LMNA
SCHEMBL30292123 0.71 HPGD (0.44) HPGDTSHRALDH1A1L3MBTL1LMNA

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 CRHBP 1243/4885CRHR2 450/4885SLC6A4 2203/4885

“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.