SCHEMBL2493886

SCHEMBL2493886

O=C(O)c1cnc(Nc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.57
MAPK12 P53778 4/20 0.57
MAPK11 Q15759 4/20 0.57
MAPK14 Q16539 4/20 0.57
KDM4E B2RXH2 3/20 0.51
ASPH Q12797 1/20 0.51
KDM8 Q8N371 1/20 0.51
SMN1; SMN2 Q16637 7/20 0.50
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
HTT P42858 4/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PLA2G1B P04054 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL2491213 0.78 RAB9A (0.54) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL4252563 0.75 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL347316 0.74 SMN1; SMN2 (0.52) KDM4EASPHKDM8SMN1; SMN2ALDH1A1
SCHEMBL347317 0.74 SMN1; SMN2 (0.52) KDM4EASPHKDM8SMN1; SMN2ALDH1A1
SCHEMBL16634682 0.72 HCAR3 (0.58) KDM4EASPHKDM8SMN1; SMN2ALDH1A1
SCHEMBL16634686 0.72 HCAR3 (0.58) KDM4EASPHKDM8SMN1; SMN2ALDH1A1
SCHEMBL453183 0.71 AKR1C3 (0.68) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL5634010 0.71 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL397773 0.71 MAPK1 (0.77) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL31039816 0.71 LCK (0.63) MAPK13MAPK12MAPK11MAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102256972-A Thiazolyl-benzimidazoles HOFFMANN LA ROCHE 2011-11-23 CN disclosed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 MAPK13 2840/4885MAPK12 3535/4885MAPK11 3003/4885

“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.