SCHEMBL2879730

SCHEMBL2879730

c1cc(-c2ccc(Oc3ccc(N4CCOCC4)cc3)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
PRKDC P78527 3/20 0.45
BTK Q06187 1/20 0.45
GAK O14976 1/20 0.43
DRD3 P35462 1/20 0.42
LTA4H P09960 1/20 0.41
P2RX3 P56373 1/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CG P48736 2/20 0.41
PIK3CB P42338 1/20 0.41
APP P05067 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
TNK2 Q07912 1/20 0.40
MTOR P42345 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 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
SCHEMBL31025635 0.91 AR (0.55) ARPRKDCGAKP2RX3PIK3CA
SCHEMBL13234995 0.84 LTA4H (0.59) DRD3LTA4H
Hydrochloric Acid SCHEMBL2881331 0.83 LTA4H (0.58) DRD3LTA4H
SCHEMBL13234981 0.75 DRD3 (0.56) DRD3LTA4H
SCHEMBL28317359 0.74 HRH4 (0.57) DRD3
SCHEMBL2883777 0.74 DRD3 (0.55) DRD3LTA4H
SCHEMBL30440657 0.74 LTA4H (0.66) BTKLTA4HTNK2
SCHEMBL27743819 0.73 LMNA (0.52) ARPRKDCGAKPIK3CAPIK3CG
SCHEMBL2883775 0.73 DRD3 (0.54) DRD3
SCHEMBL2876869 0.73 DRD3 (0.61) DRD3

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 8 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
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 AR 3038/4885PRKDC 4862/4885BTK 842/4885

“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.