SCHEMBL4308686

SCHEMBL4308686

Oc1ccc(Oc2cccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
LMNA P02545 2/20 0.62
CYP19A1 P11511 3/20 0.61
LTA4H P09960 4/20 0.59
NR1H2 P55055 1/20 0.59
BAX Q07812 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
HTT P42858 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL16114401 0.89 LMNA (0.75) TDP1LMNACYP19A1LTA4HCYP11B1
SCHEMBL27968872 0.85 LMNA (0.69) TDP1LMNACYP19A1LTA4HNR1H2
SCHEMBL676142 0.85 LMNA (0.82) TDP1LMNACYP19A1LTA4HCYP11B1
SCHEMBL30535283 0.85 LMNA (0.82) TDP1LMNACYP19A1LTA4HCYP11B1
SCHEMBL29500180 0.83 LMNA (0.72) TDP1LMNACYP19A1LTA4HCYP11B1
SCHEMBL78141 0.83 LMNA (0.72) TDP1LMNACYP19A1LTA4HCYP11B1
Potassium SCHEMBL6776357 0.83 LMNA (0.78) TDP1LMNACYP19A1LTA4HCYP11B1
SCHEMBL27041384 0.82 LMNA (0.66) TDP1LMNACYP19A1LTA4HCYP11B1
Bromide SCHEMBL9391382 0.81 LMNA (0.69) TDP1LMNACYP19A1LTA4HCYP11B1
Hydrochloric Acid SCHEMBL9386460 0.81 LMNA (0.69) TDP1LMNACYP19A1LTA4HCYP11B1

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
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
EP-1926708-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Chemistry, Inc. (US) 2008-06-04 EP disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
WO-2007040682-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
US-4455427-A THROMBOXANE INHIBITORS THE UPJOHN COMPANY (US) 1984-06-19 US disclosed
EP-0069521-A2 Pyridinyl and imidazolyl derivatives of benzofurans and benzothiophenes THE UPJOHN COMPANY (US) 1983-01-12 EP 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 TDP1 4281/4885LMNA 1522/4885CYP19A1 424/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S TDP1 4281/4885LMNA 1522/4885CYP19A1 424/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S TDP1 4281/4885LMNA 1522/4885CYP19A1 424/4885

“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.