SCHEMBL537520

SCHEMBL537520

CCOC(=O)c1sc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)nc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.60
ALDH1A1 P00352 7/20 0.60
NPC1 O15118 7/20 0.60
KDM4E B2RXH2 5/20 0.60
RXFP1 Q9HBX9 3/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPT P10636 3/20 0.58
TSHR P16473 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HPGD P15428 6/20 0.55
HTT P42858 2/20 0.53
GAA P10253 2/20 0.52
RAB9A P51151 4/20 0.51
TP53 P04637 1/20 0.51
HSP90AA1 P07900 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL538117 0.87 MAPT (0.59) SMN1; SMN2ALDH1A1NPC1KDM4ERXFP1
SCHEMBL1912722 0.84 MAPT (0.53) SMN1; SMN2NPC1LMNAMEN1KMT2A
SCHEMBL8555317 0.76 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1NPC1KDM4ERXFP1
SCHEMBL2823686 0.76 RAB9A (0.70) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL19235524 0.74 MGLL (0.48) SMN1; SMN2ALDH1A1NPC1RXFP1MEN1
SCHEMBL20971726 0.74 MGLL (0.47) SMN1; SMN2ALDH1A1NPC1KDM4ELMNA
SCHEMBL8239760 0.73 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1NPC1KDM4ELMNA
SCHEMBL28892328 0.72 MAPT (0.52) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL3939574 0.72 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1NPC1LMNAMEN1
SCHEMBL3939570 0.72 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1NPC1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414366-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE Novartis AG (CH) 2012-02-08 EP disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
WO-2010112520-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2010-10-07 WO 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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 4002/4885ALDH1A1 737/4885NPC1 305/4885

“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.