SCHEMBL222959

SCHEMBL222959

FC(F)(F)c1ccccc1CCc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
IDO1 P14902 2/20 0.40
NR3C2 P08235 1/20 0.40
HPSE Q9Y251 1/20 0.39
KCNN4 O15554 1/20 0.37
MAOB P27338 2/20 0.37
AR P10275 1/20 0.37
PHF8 Q9UPP1 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM5A P29375 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
AKR1B1 P15121 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ATM Q13315 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
SCHEMBL24521563 0.78 KMT2A (0.54) HDAC1ATMPOLB
SCHEMBL17329111 0.77 IDO1 (0.59) DAOIDO1NR3C2MAOBHDAC1
SCHEMBL225019 0.76 HTR1A (0.32) KDM4EALDH1A1
SCHEMBL221819 0.74 MRGPRX4 (0.46) IDO1
SCHEMBL15330689 0.72 KMT2A (0.36) TDP1ALDH1A1
SCHEMBL225124 0.72 TAAR1 (0.49) DAOIDO1NR3C2
SCHEMBL222961 0.72 AR (0.37) ARALDH1A1POLB
SCHEMBL12676845 0.72 CYP2D6 (0.36) DAOCDC7IDO1MAOBAR
SCHEMBL1753940 0.71 KCNH2 (0.50) DAOMAOBTDP1ALDH1A1
SCHEMBL23572998 0.70 EPHX2 (0.41) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US claimed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US claimed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US claimed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 US claimed
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 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 (3 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-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 DAO 859/4885CDC7 3052/4885DBF4 3039/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 DAO 859/4885CDC7 3052/4885DBF4 3039/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 DAO 859/4885CDC7 3052/4885DBF4 3039/4885

“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.