SCHEMBL916197

SCHEMBL916197

NCc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccno3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 8/20 0.34
MAPT P10636 6/20 0.34
LMNA P02545 5/20 0.34
HTT P42858 4/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 1/20 0.31
ALPG P10696 1/20 0.31
MAPK1 P28482 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL916136 0.85 PDE7A (0.39) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL916198 0.84 SLC6A2 (0.39) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL915352 0.84 PDE7A (0.43) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL915772 0.84 KMT2A (0.45) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL916624 0.83 PDE7A (0.40) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL917614 0.82 SMN1; SMN2 (0.39) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL915970 0.81 PDE7A (0.37) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL916539 0.81 MAPK1 (0.44) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL916492 0.81 PDE7A (0.39) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL916549 0.79 RECQL (0.48) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1

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 3987/4885MEN1 326/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 PDE7A 3067/4885SMN1; SMN2 3754/4885MEN1 2248/4885

“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.