SCHEMBL185836

SCHEMBL185836

CCOc1ccc(Nc2ccc(CN)cc2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.46
MAOB P27338 3/20 0.41
SLC2A1 P11166 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
NPY1R P25929 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
PAX8 Q06710 1/20 0.38
SYK P43405 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL672517 0.87 KLKB1 (0.44) KLKB1MAOBKDM4EMAPTGAA
SCHEMBL185482 0.85 MAOB (0.40) KLKB1MAOB
SCHEMBL185509 0.84 P2RX3 (0.43) KLKB1MAOBALDH1A1MAPTGAA
SCHEMBL186299 0.81 AR (0.44) SLC2A1ALDH1A1KDM4EHPGDHTT
SCHEMBL2808315 0.79 NPC1 (0.41) KLKB1ALDH1A1KDM4EHPGDHTT
SCHEMBL186185 0.78 LOXL2 (0.44) MAOBALDH1A1KDM4EMAPTGAA
SCHEMBL185324 0.77 KDM1A (0.40) MAOBALDH1A1KDM4EMAPTGAA
SCHEMBL186374 0.77 RAB9A (0.43) KLKB1KDM4EMAPTGAASMN1; SMN2
SCHEMBL185708 0.76 STK10 (0.37) MAOBALDH1A1KDM4EMAPTGAA
SCHEMBL185469 0.73 MAOB (0.50) MAOBALDH1A1KDM4EMAPTGAA

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 KLKB1 3460/4885MAOB 1822/4885SLC2A1 3278/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KLKB1 3460/4885MAOB 1822/4885SLC2A1 3278/4885

“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.