SCHEMBL757027

SCHEMBL757027

NCc1ccc(Oc2cccc(C(=O)N3CCCC3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
HTT P42858 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 2/20 0.58
PARP10 Q53GL7 11/20 0.56
PARP14 Q460N5 9/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
TP53 P04637 2/20 0.53
RECQL P46063 1/20 0.53
PARP1 P09874 1/20 0.53
MAPT P10636 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51

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
SCHEMBL257897 0.84 MEN1 (0.64) MEN1HTTKMT2AGAAPARP10
SCHEMBL24732812 0.82 HPGD (0.59) MEN1HTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL29809011 0.82 HPGD (0.59) MEN1HTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL753990 0.82 MEN1 (0.58) MEN1HTTKMT2AGAAPARP10
SCHEMBL257857 0.82 MEN1 (0.58) MEN1HTTKMT2AGAAPARP10
SCHEMBL3641976 0.80 PARP10 (0.50) MEN1HTTKMT2AGAAPARP10
Hydrochloric Acid SCHEMBL5728719 0.80 HPGD (0.58) MEN1HTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL19634704 0.80 HPGD (0.60) MEN1HTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL12238994 0.79 PARP10 (0.76) MEN1KMT2APARP10PARP14ALDH1A1
SCHEMBL24627425 0.78 MEN1 (0.60) MEN1HTTKMT2AGAASMN1; SMN2

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 10 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
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
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
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US 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
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 MEN1 341/4885HTT 3606/4885KMT2A 3881/4885

“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.