SCHEMBL915352

SCHEMBL915352

NCc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
CYP1A2 P05177 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.36
PDE7B Q9NP56 2/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL915772 0.93 KMT2A (0.45) PDE7ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL916549 0.92 RECQL (0.48) PDE7ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL916539 0.90 MAPK1 (0.44) PDE7ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL916624 0.90 PDE7A (0.40) PDE7ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL916492 0.88 PDE7A (0.39) PDE7ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL917614 0.87 SMN1; SMN2 (0.39) PDE7ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL916136 0.86 PDE7A (0.39) PDE7ASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL915970 0.84 PDE7A (0.37) PDE7ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL916197 0.84 PDE7A (0.37) PDE7ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL915354 0.83 SLC6A2 (0.41) PDE7ASMN1; SMN2ALDH1A1MAPTHTT

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 PDE7A 1475/4885SMN1; SMN2 3987/4885ALDH1A1 420/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 PDE7A 3067/4885SMN1; SMN2 3754/4885ALDH1A1 2340/4885

“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.