SCHEMBL185469

SCHEMBL185469

NCc1ccc(Nc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AURKA O14965 2/20 0.43
GAA P10253 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
EPHX2 P34913 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKR1C3 P42330 1/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TEAD1 P28347 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL1921413 0.86 ALDH1A1 (0.57) ALDH1A1TDP1POLBL3MBTL1AURKA
SCHEMBL1921298 0.80 ALDH1A1 (0.52) ALDH1A1TDP1POLBL3MBTL1AURKA
SCHEMBL2592058 0.80 AURKA (0.59) ALDH1A1TDP1POLBL3MBTL1AURKA
SCHEMBL186185 0.80 LOXL2 (0.44) MAOBALDH1A1L3MBTL1AURKAGAA
SCHEMBL16481153 0.79 ACP1 (0.54) ALDH1A1TDP1POLBL3MBTL1AURKA
SCHEMBL186374 0.78 RAB9A (0.43) GAAMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL185324 0.78 KDM1A (0.40) MAOBALDH1A1L3MBTL1GAAKMT2A
SCHEMBL13462899 0.77 MAPT (0.55) ALDH1A1TDP1POLBL3MBTL1AURKA
SCHEMBL10989377 0.77 STK10 (0.51) ALDH1A1TDP1POLBL3MBTL1AURKA
SCHEMBL27962661 0.77 ALDH1A1 (0.48) ALDH1A1TDP1POLBL3MBTL1AURKA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539323-B3 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2017-10-04 EP disclosed
EP-2539323-B3 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2017-10-04 EP disclosed
EP-2539323-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2014-12-03 EP disclosed
EP-2539323-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2014-12-03 EP disclosed
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
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
US-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US 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
WO-2011104203-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
WO-2011104203-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO 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 (3 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-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, EDNRB MAOB 486/4885ALDH1A1 3359/4885TDP1 3400/4885
US-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MAOB 1822/4885ALDH1A1 1000/4885TDP1 2237/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MAOB 1822/4885ALDH1A1 1000/4885TDP1 2237/4885

“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.