SCHEMBL224838

SCHEMBL224838

Cc1cccc(C)c1OCc1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 4/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.40
SCN4A P35499 7/20 0.40
SCN1A P35498 2/20 0.40
SCN5A Q14524 2/20 0.40
SCN9A Q15858 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
NFKB1 P19838 2/20 0.40
SCN8A Q9UQD0 2/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL226843 0.81 NISCH (0.48) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL221833 0.80 ADRA2A (0.35) ALDH1A1POLBMAPTNPSR1
SCHEMBL3834958 0.79 FFAR1 (0.42) POLBLMNAKMT2AMAPTTP53
Water SCHEMBL27907302 0.79 ADRA2A (0.34) ALDH1A1POLBTSHR
SCHEMBL11048885 0.76 SCN4A (0.33) ALDH1A1POLBLMNASCN4ASCN1A
SCHEMBL2103783 0.75 TAAR1 (0.46) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL6358732 0.74 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AKCNH2
SCHEMBL223967 0.74 TAAR1 (0.38) LMNAMEN1KMT2AMAPTNPSR1
SCHEMBL13359943 0.74 NPC1 (0.47) ALDH1A1LMNAGAANFKB1KCNH2
SCHEMBL10548169 0.73 ADRA2A (0.40) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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 12 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
CN-101578271-A 4-imidazolines as TAAR's ligands HOFFMANN LA ROCHE (CH) 2009-11-11 CN 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 ALDH1A1 246/4885POLB 4762/4885LMNA 4787/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 ALDH1A1 246/4885POLB 4762/4885LMNA 4787/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 ALDH1A1 246/4885POLB 4762/4885LMNA 4787/4885

“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.