SCHEMBL916138

SCHEMBL916138

CNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccco3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HPGD P15428 2/20 0.36
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDE7A Q13946 2/20 0.36
LMNA P02545 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
OPRK1 P41145 1/20 0.35
BRD4 O60885 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL915354 0.85 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL916198 0.85 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL916344 0.84 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL916493 0.84 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL916136 0.84 PDE7A (0.39) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL915971 0.83 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL916561 0.83 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL915440 0.82 MAPT (0.39) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL916625 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL917615 0.82 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP claimed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 US claimed
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.