SCHEMBL710094

SCHEMBL710094

N#Cc1ccc2c(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
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 2/20 0.35
VCAM1 P19320 1/20 0.34
MAPT P10636 7/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 4/20 0.34
LMNA P02545 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CCR6 P51684 1/20 0.34
MAPK1 P28482 2/20 0.33
SNCA P37840 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC29A1 Q99808 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3253737 0.88 L3MBTL1 (0.41) PDE7ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL918072 0.87 PDE7A (0.36) PDE7ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL3254604 0.86 MAPT (0.39) PDE7ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL916806 0.86 MAPT (0.35) PDE7ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL708822 0.86 PDE7A (0.36) PDE7ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL708824 0.85 PDE7A (0.43) PDE7ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL708506 0.85 PDE7A (0.38) PDE7ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL916624 0.84 PDE7A (0.40) PDE7ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL3254071 0.84 APP (0.40) SMN1; SMN2MEN1KMT2APOLBMAPT
SCHEMBL711655 0.83 TP53 (0.38) PDE7ASMN1; SMN2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP disclosed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 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-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS AR, NR5A1, SHBG PDE7A 935/4885SMN1; SMN2 4743/4885MEN1 1829/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG PDE7A 1353/4885SMN1; SMN2 4512/4885MEN1 860/4885

“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.