SCHEMBL916758

SCHEMBL916758

CNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cscn3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
PDE7A Q13946 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 7/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
ALPG P10696 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 3/20 0.34
HPGD P15428 1/20 0.33
NR1I2 O75469 2/20 0.32
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31

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
SCHEMBL915683 0.88 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3PDE7ASMN1; SMN2
SCHEMBL916561 0.86 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3PDE7ASMN1; SMN2
SCHEMBL916536 0.85 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3PDE7ASMN1; SMN2
SCHEMBL915354 0.84 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3PDE7ASMN1; SMN2
SCHEMBL915971 0.84 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3PDE7ASMN1; SMN2
SCHEMBL915440 0.83 MAPT (0.39) SLC6A2SLC6A4SLC6A3PDE7ASMN1; SMN2
SCHEMBL917542 0.82 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PDE7ASMN1; SMN2
SCHEMBL916344 0.82 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3PDE7ASMN1; SMN2
SCHEMBL916625 0.81 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3PDE7ASMN1; SMN2
SCHEMBL917615 0.81 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3PDE7ASMN1; SMN2

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-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG SLC6A2 729/4885SLC6A4 374/4885SLC6A3 752/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 SLC6A2 1378/4885SLC6A4 582/4885SLC6A3 734/4885

“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.