SCHEMBL309370

SCHEMBL309370

COc1cc(SC)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
MAPK1 P28482 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALOX5 P09917 1/20 0.40
TSHR P16473 1/20 0.39
NFE2L2 Q16236 1/20 0.39
APP P05067 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL31738200 1.00 LMNA (0.46) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL12410570 0.82 TSHR (0.50) LMNAMAPTMEN1KMT2AHTT
SCHEMBL309863 0.82 LMNA (0.61) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL8008016 0.82 PTGS1 (0.59) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL15720722 0.78 MAPT (0.48) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL15721111 0.78 MAPT (0.48) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL15719607 0.76 LMNA (0.44) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL5924005 0.76 ALDH1A1 (0.53) CYP1A1CYP1A2CYP1B1
SCHEMBL8863513 0.76 ALDH1A1 (0.61) PTGS2ALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL15720942 0.76 MAPT (0.46) LMNAPTGS1PTGS2MAPTMEN1

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
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 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-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S LMNA 1300/4885PTGS1 31/4885PTGS2 40/4885

“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.