SCHEMBL2876304

SCHEMBL2876304

COc1ccc(Oc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.72
MAPT P10636 5/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
DRD4 P21917 3/20 0.64
ALDH1A1 P00352 1/20 0.61
GLA P06280 1/20 0.61
MAPK1 P28482 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HSD17B10 Q99714 2/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 3/20 0.58
DRD2 P14416 1/20 0.56
SMO Q99835 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.55

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
SCHEMBL11923385 0.96 SIGMAR1 (0.79) SIGMAR1MAPTL3MBTL1DRD4ALDH1A1
Hydrochloric Acid SCHEMBL11213408 0.94 SIGMAR1 (0.77) SIGMAR1MAPTL3MBTL1DRD4ALDH1A1
SCHEMBL8729399 0.91 SIGMAR1 (0.67) SIGMAR1MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL2881069 0.89 DRD4 (0.64) SIGMAR1MAPTL3MBTL1DRD4ALDH1A1
SCHEMBL28217942 0.85 SIGMAR1 (1.00) SIGMAR1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL15937935 0.84 DRD4 (0.69) SIGMAR1MAPTL3MBTL1DRD4ALDH1A1
SCHEMBL3708916 0.83 ALDH1A1 (0.67) SIGMAR1MAPTL3MBTL1ALDH1A1GLA
SCHEMBL6030381 0.82 ALDH1A1 (0.72) SIGMAR1MAPTDRD4ALDH1A1MAPK1
SCHEMBL6030554 0.82 SIGMAR1 (0.62) SIGMAR1MAPTDRD4ALDH1A1TDP1
SCHEMBL2881058 0.82 PPARD (0.63) SIGMAR1MAPTDRD4MAPK1LMNA

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-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
US-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
US-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
EP-1968961-A2 BIARYL NITROGEN HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2008-09-17 EP disclosed
WO-2007078335-A2 BIARYL NITROGEN HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF. (IS) 2007-07-12 WO disclosed
WO-2007078335-A2 BIARYL NITROGEN HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF. (IS) 2007-07-12 WO disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 US disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 US disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 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-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTC4S, LTB4R SIGMAR1 2860/4885MAPT 4389/4885L3MBTL1 1414/4885

“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.