SCHEMBL4315835

SCHEMBL4315835

Oc1ccc(-c2ncc(Cc3ccccc3)s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.65
CYP11B2 P19099 2/20 0.54
NAMPT P43490 3/20 0.53
LMNA P02545 4/20 0.51
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
QPCT Q16769 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
ABL1 P00519 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL28812866 0.88 CYP11B1 (0.65) CYP11B1CYP11B2NAMPTLMNAQPCT
SCHEMBL28162546 0.84 CYP11B1 (0.54) CYP11B1CYP11B2NAMPTLMNAQPCT
SCHEMBL20379257 0.84 CYP11B1 (0.54) CYP11B1CYP11B2NAMPTLMNAQPCT
SCHEMBL10612365 0.82 NAMPT (0.60) CYP11B1CYP11B2NAMPTLMNAQPCT
SCHEMBL4317112 0.80 POLB (0.58) CYP11B1CYP11B2NAMPTLMNANPC1
SCHEMBL3065978 0.78 CYP11B1 (0.47) CYP11B1CYP11B2LMNAHSD17B1HSD17B2
SCHEMBL5264441 0.77 CA2 (0.47) CYP11B1NAMPTHSD17B1HSD17B2QPCT
SCHEMBL18641409 0.77 CYP11B1 (0.47) CYP11B1CYP11B2NAMPTHSD17B1HSD17B2
Hydrochloric Acid SCHEMBL18641417 0.77 CYP11B1 (0.46) CYP11B1CYP11B2LMNAHSD17B1HSD17B2
SCHEMBL19224495 0.75 LMNA (0.56) CYP11B1NAMPTLMNANPC1RAB9A

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 10 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
CN-101312948-A Biaryl substituted heterocycle inhibitors of lta4h for treating inflammation DECODE GENETICS EHF (IS) 2008-11-26 CN 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

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 CYP11B1 330/4885CYP11B2 322/4885NAMPT 140/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S CYP11B1 330/4885CYP11B2 322/4885NAMPT 140/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S CYP11B1 330/4885CYP11B2 322/4885NAMPT 140/4885

“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.