SCHEMBL347316

SCHEMBL347316

Cc1nc(Nc2ccccc2[N+](=O)[O-])sc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 4/20 0.52
MAPT P10636 10/20 0.50
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 6/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 3/20 0.48
RAB9A P51151 8/20 0.48
POLB P06746 1/20 0.48
CASP7 P55210 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
AKR1C3 P42330 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
SCHEMBL347317 1.00 SMN1; SMN2 (0.52) SMN1; SMN2HPGDMAPTALDH1A1KDM4E
SCHEMBL4923629 0.81 MAPT (0.56) SMN1; SMN2HPGDMAPTALDH1A1KDM4E
SCHEMBL773420 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HPGDMAPTALDH1A1KDM4E
SCHEMBL27957021 0.79 MAPT (0.54) SMN1; SMN2HPGDMAPTALDH1A1KDM4E
SCHEMBL4914698 0.78 KMT2A (0.53) SMN1; SMN2HPGDMAPTALDH1A1KDM4E
SCHEMBL4924626 0.77 MAPT (0.76) SMN1; SMN2HPGDMAPTALDH1A1KDM4E
SCHEMBL4765972 0.77 NPC1 (0.76) SMN1; SMN2HPGDMAPTALDH1A1KDM4E
SCHEMBL27257810 0.75 KDM4E (0.52) SMN1; SMN2HPGDMAPTALDH1A1KDM4E
SCHEMBL2493886 0.74 MAPK13 (0.57) SMN1; SMN2HPGDMAPTALDH1A1KDM4E
SCHEMBL4914715 0.72 ALDH1A1 (0.48) SMN1; SMN2HPGDMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318949-B2 Organic compounds NOVARTIS AG (CH) 2012-11-27 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 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 (2 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-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SMN1; SMN2 3581/4885HPGD 344/4885MAPT 2947/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SMN1; SMN2 3581/4885HPGD 344/4885MAPT 2947/4885

“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.