SCHEMBL2085170

SCHEMBL2085170

CC(C)(C)c1cc(C(=O)CNC(c2ccccn2)C2CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
BCHE P06276 2/20 0.46
MAOA P21397 2/20 0.46
ACHE P22303 2/20 0.46
IDH1 O75874 7/20 0.45
HDAC6 Q9UBN7 1/20 0.44
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
F2R P25116 2/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2086639 0.81 IDH1 (0.47) MAOBBCHEMAOAACHEIDH1
Trifluoroacetic Acid SCHEMBL2085497 0.77 IDH1 (0.43) MAOBBCHEMAOAACHEIDH1
SCHEMBL3977350 0.72 GAA (0.58) MAOBBCHEMAOAACHEHDAC6
Bromide SCHEMBL2085161 0.71 GAA (0.57) MAOBBCHEMAOAACHEHDAC6
SCHEMBL2085171 0.69 BCHE (0.48) MAOBBCHEMAOAACHEGAA
SCHEMBL11606716 0.66 IDH1 (0.51) IDH1GAAMEN1KMT2AALOX5
SCHEMBL20217463 0.66 HDAC6 (0.44) HDAC6
SCHEMBL27224806 0.65 HDAC6 (0.42) HDAC6CYP2C19
SCHEMBL10705996 0.65 KMT2A (0.56) IDH1GAAMEN1KMT2AALOX5
SCHEMBL2086644 0.65 BCHE (0.46) MAOBBCHEMAOAACHEGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863269-B2 protease-activated receptor 1 (PAR1) inhibitors such as 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(3-iminoimidazo[1,5-a]pyridin-2-yl)ethanone, used as anticoagulants SANOFI-AVENTIS (FR) 2011-01-04 US disclosed
US-7863269-B2 protease-activated receptor 1 (PAR1) inhibitors such as 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(3-iminoimidazo[1,5-a]pyridin-2-yl)ethanone, used as anticoagulants SANOFI-AVENTIS (FR) 2011-01-04 US disclosed
US-7863269-B2 protease-activated receptor 1 (PAR1) inhibitors such as 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(3-iminoimidazo[1,5-a]pyridin-2-yl)ethanone, used as anticoagulants SANOFI-AVENTIS (FR) 2011-01-04 US disclosed
EP-2054412-B1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI AVENTIS (FR) 2009-12-02 EP disclosed
EP-2054412-B1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI AVENTIS (FR) 2009-12-02 EP disclosed
US-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-07-30 US disclosed
US-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-07-30 US disclosed
US-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-07-30 US disclosed
EP-2054412-A2 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2009-05-06 EP disclosed
WO-2008014888-A2 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2008-02-07 WO disclosed
WO-2008014888-A2 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2008-02-07 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 (1 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-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY F2R, TFPI, F2RL1 MAOB 1130/4885BCHE 4041/4885MAOA 819/4885

“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.