SCHEMBL226843

SCHEMBL226843

Cc1ccccc1OCc1c[nH]cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 2/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 3/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
STAT3 P40763 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
SCHEMBL6358732 0.88 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL3839730 0.84 FFAR1 (0.45) NISCHSMN1; SMN2LMNAMAPTHTT
SCHEMBL223566 0.83 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL224838 0.81 ALDH1A1 (0.48) LMNAMAPTTSHRHSD17B10KDM4E
SCHEMBL3834958 0.81 FFAR1 (0.42) NISCHSMN1; SMN2LMNAMAPTHTT
SCHEMBL222619 0.81 NISCH (0.50) NISCHMAPTTSHRHSD17B10KDM4E
SCHEMBL224876 0.80 MEN1 (0.44) RECQLKDM4ETDP1MAPK1KMT2A
SCHEMBL224554 0.80 LTA4H (0.50) MAPTTDP1MAPK1L3MBTL1
SCHEMBL224611 0.80 TP53 (0.45) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL224997 0.80 GAA (0.47) SMN1; SMN2LMNAMAPTTSHRHSD17B10

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 9 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
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 NISCH 720/4885NPC1 1248/4885RAB9A 2197/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 NISCH 720/4885NPC1 1248/4885RAB9A 2197/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 NISCH 720/4885NPC1 1248/4885RAB9A 2197/4885

“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.