SCHEMBL916624

SCHEMBL916624

NCc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.35
SLC29A1 Q99808 1/20 0.35
SLC2A1 P11166 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SERPINE1 P05121 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
SCHEMBL915772 0.93 KMT2A (0.45) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL916539 0.92 MAPK1 (0.44) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL916281 0.92 PDE7A (0.39) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL916099 0.91 PDE7A (0.37) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL915352 0.90 PDE7A (0.43) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL708824 0.89 PDE7A (0.43) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL917614 0.87 SMN1; SMN2 (0.39) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL708506 0.87 PDE7A (0.38) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL917261 0.86 MEN1 (0.38) SMN1; SMN2KMT2AMEN1POLBALDH1A1
SCHEMBL709178 0.85 KMT2A (0.42) PDE7ASMN1; SMN2KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US claimed
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
EP-1742912-A1 NOVEL ANDROGENS N.V. Organon (NL) 2007-01-17 EP claimed
WO-2005102998-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2005-11-03 WO 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 3987/4885KMT2A 1595/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 PDE7A 3067/4885SMN1; SMN2 3754/4885KMT2A 3473/4885

“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.