SCHEMBL221820

SCHEMBL221820

Clc1cccc(OCc2c[nH]cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FFAR1 O14842 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
ROCK2 O75116 1/20 0.44
GRK2 P25098 1/20 0.44
NR4A2 P43354 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
WDR5 P61964 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
POLB P06746 1/20 0.42
DHFR P00374 1/20 0.42
DCPS Q96C86 1/20 0.42
MAOB P27338 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3839730 0.87 FFAR1 (0.45) LMNAMAPK1HTTSMN1; SMN2FFAR1
SCHEMBL3834958 0.83 FFAR1 (0.42) LMNAMAPK1HTTSMN1; SMN2FFAR1
SCHEMBL4427549 0.80 KCNH2 (0.55) SMN1; SMN2MAOBMAPT
SCHEMBL222797 0.79 MRGPRX4 (0.43) SMN1; SMN2KMT2ATDP1POLBMAOB
SCHEMBL30513281 0.78 FFAR1 (0.45) LMNAMAPK1HTTSMN1; SMN2FFAR1
SCHEMBL224970 0.78 LMNA (0.50) LMNAHTTNR4A2KMT2AMAOB
SCHEMBL223576 0.78 APP (0.52) FFAR1
SCHEMBL223976 0.78 RXRA (0.43) RXRAMAOB
Water SCHEMBL27907306 0.77 RXRA (0.42) RXRAMAOB
SCHEMBL222298 0.76 FFAR1 (0.43) FFAR1POLBMAOB

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
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
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 4787/4885MAPK1 818/4885HTT 2606/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 LMNA 4787/4885MAPK1 818/4885HTT 2606/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 LMNA 4787/4885MAPK1 818/4885HTT 2606/4885

“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.