SCHEMBL2086644

SCHEMBL2086644

CC(C)(C)c1cc(C(=O)CNCc2ncccc2-c2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
MAOA P21397 2/20 0.46
ACHE P22303 2/20 0.46
MAOB P27338 3/20 0.45
GAA P10253 2/20 0.41
CTRC Q99895 1/20 0.39
F2R P25116 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX5 P09917 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
TNFRSF1A P19438 1/20 0.38
PTPN1 P18031 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
SCHEMBL2085171 0.80 BCHE (0.48) BCHEMAOAACHEMAOBGAA
SCHEMBL3977350 0.80 GAA (0.58) BCHEMAOAACHEMAOBGAA
Bromide SCHEMBL2085161 0.79 GAA (0.57) BCHEMAOAACHEMAOBGAA
SCHEMBL2086639 0.69 IDH1 (0.47) BCHEMAOAACHEMAOBGAA
SCHEMBL2082274 0.67 CYP3A4 (0.47) MAOAMAOBMEN1KMT2A
SCHEMBL9963987 0.67 LMNA (0.41) MEN1KMT2APTGS1PTGS2
SCHEMBL7641085 0.66 TNFRSF1A (0.49) GAAMEN1KMT2AALOX5PTGS1
SCHEMBL3891522 0.65 GAA (0.67) GAAMEN1KMT2A
SCHEMBL2085170 0.65 MAOB (0.46) BCHEMAOAACHEMAOBGAA
SCHEMBL11786628 0.65 SELL (0.52) MAOBGAAMEN1KMT2AALOX5

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 2 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-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-07-30 US 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 BCHE 4041/4885MAOA 819/4885ACHE 1126/4885

“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.