SCHEMBL754458

SCHEMBL754458

ON=Cc1ccc(Oc2ccc(Br)cc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 4/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL2545532 1.00 LMNA (0.45) LMNANPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL30378054 0.80 TTR (0.47) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL755560 0.80 TTR (0.47) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2543957 0.79 CRHBP (0.43) LMNANPC1RAB9ASMN1; SMN2CRHBP
SCHEMBL756643 0.79 CRHBP (0.43) LMNANPC1RAB9ASMN1; SMN2CRHBP
SCHEMBL8683893 0.78 STK39 (0.46) LMNAMEN1KMT2AMAPK1HSP90AA1
SCHEMBL9272342 0.77 MAPT (0.50) LMNASMN1; SMN2MEN1KMT2AHSP90AA1
SCHEMBL8683891 0.74 KMT2A (0.43) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9440387 0.74 SCN9A (0.44) MAPK1L3MBTL1ALDH1A1TDP1
SCHEMBL11606863 0.74 MAPT (0.47) LMNARAB9AMEN1KMT2AMAPK1

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 LMNA 1305/4885NPC1 1607/4885RAB9A 2107/4885

“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.