SCHEMBL185639

SCHEMBL185639

NCc1ccc(Nc2ccc(F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.73
MAOB P27338 3/20 0.52
TAAR1 Q96RJ0 2/20 0.48
KCNH3 Q9ULD8 3/20 0.47
HRH3 Q9Y5N1 1/20 0.44
GAA P10253 1/20 0.42
IDO1 P14902 3/20 0.41
AGXT P21549 2/20 0.41
ABAT P80404 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL258907 0.88 HRH3 (0.55) LOXL2TAAR1HRH3ABAT
SCHEMBL1459020 0.85 HRH3 (0.52) LOXL2TAAR1HRH3ABAT
SCHEMBL21063 0.85
Hydrochloric Acid SCHEMBL3830237 0.83 LOXL2 (0.94) LOXL2MAOBTAAR1HRH3IDO1
Iodide SCHEMBL20838270 0.83 LOXL2 (0.94) LOXL2MAOBTAAR1HRH3IDO1
Hydrochloric Acid SCHEMBL3847812 0.83 LOXL2 (0.94) LOXL2MAOBTAAR1HRH3IDO1
Bromide SCHEMBL31513710 0.83 LOXL2 (0.94) LOXL2MAOBTAAR1HRH3IDO1
Ammonia Solution, Strong SCHEMBL4750128 0.83 LOXL2 (0.94) LOXL2MAOBTAAR1HRH3IDO1
SCHEMBL31456969 0.82 LOXL2 (0.48) LOXL2MAOBTAAR1KCNH3IDO1
Hydrochloric Acid SCHEMBL31473439 0.80 MEN1 (0.50) LOXL2MAOBKCNH3

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 LOXL2 4199/4885MAOB 1822/4885TAAR1 851/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LOXL2 4199/4885MAOB 1822/4885TAAR1 851/4885

“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.