SCHEMBL917293

SCHEMBL917293

CN(C)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SLC6A4 P31645 2/20 0.36
PTGS2 P35354 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 5/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 3/20 0.34
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 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
SCHEMBL916317 0.90 MEN1 (0.36) PDE7ASMN1; SMN2SLC6A4MEN1KMT2A
SCHEMBL708506 0.87 PDE7A (0.38) PDE7ASMN1; SMN2SLC6A4MEN1KMT2A
SCHEMBL917442 0.86 BRD4 (0.35) PDE7ASMN1; SMN2SLC6A4MEN1KMT2A
SCHEMBL710375 0.85 ALDH1A1 (0.42) PDE7ASMN1; SMN2SLC6A4MEN1KMT2A
SCHEMBL708824 0.85 PDE7A (0.43) PDE7ASMN1; SMN2SLC6A4MEN1KMT2A
SCHEMBL711655 0.85 TP53 (0.38) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL916625 0.85 SLC6A2 (0.39) PDE7ASMN1; SMN2SLC6A4MEN1KMT2A
SCHEMBL716247 0.84 SLC6A4 (0.33) PDE7ASMN1; SMN2SLC6A4MEN1KMT2A
SCHEMBL916624 0.84 PDE7A (0.40) PDE7ASMN1; SMN2SLC6A4MEN1KMT2A
SCHEMBL917044 0.84 HTT (0.38) PDE7ASMN1; SMN2PTGS2MEN1KMT2A

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 3987/4885SLC6A4 374/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 PDE7A 3067/4885SMN1; SMN2 3754/4885SLC6A4 582/4885

“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.