SCHEMBL916492

SCHEMBL916492

NCc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccoc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HRH2 P25021 1/20 0.33
ALDH1A1 P00352 6/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 4/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GAA P10253 1/20 0.32
ALPG P10696 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL915352 0.88 PDE7A (0.43) PDE7ASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL915772 0.85 KMT2A (0.45) PDE7ASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL916493 0.85 SLC6A2 (0.38) PDE7ASMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL916136 0.85 PDE7A (0.39) PDE7ASMN1; SMN2HRH2ALDH1A1KMT2A
SCHEMBL916624 0.84 PDE7A (0.40) PDE7ASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL915970 0.83 PDE7A (0.37) PDE7ASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL916539 0.83 MAPK1 (0.44) PDE7ASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL916549 0.83 RECQL (0.48) PDE7ASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL917614 0.82 SMN1; SMN2 (0.39) PDE7ASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL916197 0.81 PDE7A (0.37) PDE7ASMN1; SMN2ALDH1A1KMT2AMAPT

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 PDE7A 1475/4885SMN1; SMN2 3987/4885HTR2A 846/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 PDE7A 3067/4885SMN1; SMN2 3754/4885HTR2A 900/4885

“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.