SCHEMBL224970

SCHEMBL224970

FC(F)(F)c1cccc(OCc2c[nH]cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NR4A2 P43354 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MAOB P27338 4/20 0.45
MAOA P21397 1/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
HTR2C P28335 1/20 0.43
AOC3 Q16853 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL4385050 0.87 LMNA (0.48) LMNAMRGPRX4PKMHSD17B10L3MBTL1
SCHEMBL4385045 0.85 L3MBTL1 (0.47) LMNAPKMHSD17B10L3MBTL1KDM4E
SCHEMBL223976 0.83 RXRA (0.43) MRGPRX4MAOB
Water SCHEMBL27907306 0.82 RXRA (0.42) MRGPRX4MAOB
SCHEMBL4379848 0.80 KMT2A (0.38) LMNAPKMHSD17B10L3MBTL1MAOB
Oxalic Acid SCHEMBL7990786 0.79 KDM4E (0.52) LMNAMRGPRX4NR4A2L3MBTL1KDM4E
SCHEMBL7991161 0.78 NPSR1 (0.43) L3MBTL1KDM4EKMT2A
SCHEMBL221820 0.78 LMNA (0.45) LMNANR4A2MAOBKMT2AHTT
SCHEMBL8626553 0.77 MRGPRX4 (0.52) LMNAMRGPRX4PKMHSD17B10NR4A2
SCHEMBL4427549 0.76 KCNH2 (0.55) MAOBMAOA

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-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
CN-101578271-B 4-imidazolines as taar's ligands HOFFMANN LA ROCHE 2013-06-19 CN disclosed
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
CN-101578271-A 4-imidazolines as TAAR's ligands HOFFMANN LA ROCHE (CH) 2009-11-11 CN 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 LMNA 4787/4885MRGPRX4 93/4885PKM 2752/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 LMNA 4787/4885MRGPRX4 93/4885PKM 2752/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 LMNA 4787/4885MRGPRX4 93/4885PKM 2752/4885

“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.