SCHEMBL916099

SCHEMBL916099

NCCCc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
HSP90AA1 P07900 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC2A1 P11166 1/20 0.34
MAPK1 P28482 1/20 0.33
SLC29A1 Q99808 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL916281 0.94 PDE7A (0.39) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL916624 0.91 PDE7A (0.40) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL708824 0.85 PDE7A (0.43) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL708506 0.84 PDE7A (0.38) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL915772 0.84 KMT2A (0.45) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL916539 0.83 MAPK1 (0.44) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL709178 0.82 KMT2A (0.42) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL918072 0.82 PDE7A (0.36) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL711655 0.81 TP53 (0.38) PDE7ASMN1; SMN2KMT2AMEN1POLB
SCHEMBL917293 0.81 PDE7A (0.36) 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 2 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
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP 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 (1 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-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.