SCHEMBL185219

SCHEMBL185219

Nc1cncc(C(=O)NC2(C(=O)O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
DDO Q99489 1/20 0.53
HSD17B10 Q99714 1/20 0.39
GPR132 Q9UNW8 3/20 0.38
BDKRB1 P46663 4/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SMYD3 Q9H7B4 3/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2805627 0.86 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL185854 0.86 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL185415 0.79 BDKRB1 (0.47) KDM4EHSD17B10GPR132BDKRB1
SCHEMBL2805840 0.78 KMT2A (0.45) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL186114 0.73 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL31345700 0.73 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL6755703 0.73 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL5354663 0.73 GPR132 (0.43) ALDH1A1GPR132BDKRB1
SCHEMBL11984274 0.73 BDKRB1 (0.39) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2809274 0.72 KDM4E (0.48) KDM4EALDH1A1HSD17B10GPR132HPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KDM4E 4133/4885ALDH1A1 1000/4885MEN1 314/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KDM4E 4133/4885ALDH1A1 1000/4885MEN1 314/4885

“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.