SCHEMBL4308635

SCHEMBL4308635

c1ccc(COc2ccc(Oc3ccncc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.62
KCNH2 Q12809 1/20 0.59
GRIN2B Q13224 1/20 0.59
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MAOB P27338 3/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
MAOA P21397 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 2/20 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
SCHEMBL953509 0.92 F2 (0.65) F2KCNH2GRIN2BLMNACYP1A2
SCHEMBL5538712 0.88 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
Formaldehyde SCHEMBL28131029 0.87 F2 (0.59) F2KCNH2GRIN2BLMNACYP1A2
SCHEMBL11849334 0.86 LMNA (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1957932 0.85 F2 (0.62) F2KCNH2GRIN2BLMNACYP1A2
SCHEMBL4569962 0.84 F2 (0.60) F2KCNH2GRIN2BLMNACYP1A2
SCHEMBL4313839 0.83 MAPK1 (0.61) F2LMNACYP1A2PTGS1SLC6A2
SCHEMBL168543 0.82 LMNA (0.55) F2LMNACYP1A2PTGS1SLC6A2
SCHEMBL891493 0.82 FFAR1 (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.82 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 EP disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 US disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
US-7402684-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENECTICS EHF. (IS) 2008-07-22 US disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 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-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S F2 504/4885KCNH2 3360/4885GRIN2B 3554/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S F2 504/4885KCNH2 3360/4885GRIN2B 3554/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S F2 504/4885KCNH2 3360/4885GRIN2B 3554/4885

“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.