SCHEMBL1848615

SCHEMBL1848615

COc1ccccc1CNc1ncc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.58
GAA P10253 3/20 0.58
KDM1A O60341 1/20 0.58
RCOR1 Q9UKL0 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 6/20 0.51
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 5/20 0.50
CYP3A4 P08684 5/20 0.50
CYP2D6 P10635 5/20 0.50
CYP2C19 P33261 5/20 0.50
ALOX15 P16050 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
CLK4 Q9HAZ1 3/20 0.47
CYP2C9 P11712 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL2448847 0.80 POLB (0.46) HSD17B10GAAKDM1ARCOR1SMN1; SMN2
SCHEMBL1845121 0.80 LMNA (0.43) ALDH1A1MAPK1LMNAHIF1ARXFP1
SCHEMBL12660195 0.80 TAAR1 (0.46) HSD17B10GAAKDM1ARCOR1CYP3A4
SCHEMBL16995683 0.78 GAA (0.64) HSD17B10GAAKDM1ARCOR1L3MBTL1
SCHEMBL3176973 0.78 KDM4E (0.54) L3MBTL1TSHRTP53SMN1; SMN2CYP1A2
SCHEMBL1846157 0.77 MEN1 (0.45) GAAL3MBTL1TP53SMN1; SMN2CYP1A2
SCHEMBL1844758 0.77 ADRA2A (0.54) HSD17B10GAAL3MBTL1TSHRTP53
Acetic Acid SCHEMBL2382860 0.76 POLB (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL1846409 0.75 ADRA2A (0.56) CYP3A4ALDH1A1MAPTCYP2C9LMNA
SCHEMBL2448848 0.74 CLK2 (0.53) GAATSHRTP53SMN1; SMN2ALDH1A1

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-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US claimed
EP-2101762-B1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) HOFFMANN LA ROCHE (CH) 2011-05-18 EP disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2101762-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO disclosed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146634-A1 2-IMIDAZOLES 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 (1 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-20080146634-A1 2-IMIDAZOLES ABL1, H1-2, IPO4 HSD17B10 2105/4885GAA 1214/4885KDM1A 935/4885

“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.