SCHEMBL186342

SCHEMBL186342

COc1ccc(Nc2ccc(CN)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.68
MAPT P10636 5/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
RAB9A P51151 3/20 0.68
MAPK1 P28482 2/20 0.68
KDM4E B2RXH2 2/20 0.68
THRB P10828 2/20 0.68
RECQL P46063 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
NPC1 O15118 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
NR4A1 P22736 1/20 0.62
MAOB P27338 4/20 0.59
TAAR1 Q96RJ0 1/20 0.53
ALDH1A1 P00352 4/20 0.52
HTT P42858 2/20 0.50
SLC6A4 P31645 1/20 0.50
KLKB1 P03952 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49

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
SCHEMBL4951818 0.87 MAOB (0.73) MAPK1TDP1MAOBTAAR1ALDH1A1
SCHEMBL8755 0.87 MAOB (0.73) MAPK1TDP1MAOBTAAR1ALDH1A1
Bromide SCHEMBL31513712 0.85 MAOB (0.70) MAPK1TDP1MAOBTAAR1ALDH1A1
Iodide SCHEMBL28780684 0.85 MAOB (0.70) MAPK1TDP1MAOBTAAR1ALDH1A1
Ammonia Solution, Strong SCHEMBL9173570 0.85 MAOB (0.70) MAPK1TDP1MAOBTAAR1ALDH1A1
Hydrochloric Acid SCHEMBL1715149 0.85 MAOB (0.77) MAPK1TDP1MAOBTAAR1ALDH1A1
Hydrochloric Acid SCHEMBL7011298 0.83 MAOB (0.68) MAPK1TDP1MAOBTAAR1ALDH1A1
SCHEMBL1459772 0.82 MAPT (1.00) GAAMAPTL3MBTL1RAB9AMAPK1
SCHEMBL258907 0.82 HRH3 (0.55) L3MBTL1MAPK1TDP1TAAR1ALDH1A1
SCHEMBL39057 0.82 MAPT (1.00) GAAMAPTL3MBTL1RAB9AMAPK1

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-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-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
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 GAA 1561/4885MAPT 4326/4885L3MBTL1 3608/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 GAA 1561/4885MAPT 4326/4885L3MBTL1 3608/4885

“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.