SCHEMBL917414

SCHEMBL917414

O=[N+]([O-])c1ccccc1Sc1cn(Cc2cc(F)cc(F)c2)c2cc(NCCO)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPK1 P28482 1/20 0.35
PDE7A Q13946 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 8/20 0.34
MAPT P10636 7/20 0.34
ALDH1A1 P00352 6/20 0.34
LMNA P02545 5/20 0.34
MEN1 O00255 5/20 0.34
GAA P10253 2/20 0.34
ALDH3A1 P30838 1/20 0.34
ALPG P10696 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 3/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL916097 0.91 KMT2A (0.39) SLC6A2SLC6A4SLC6A3MAPK1PDE7A
SCHEMBL916280 0.90 MAPT (0.39) SLC6A2SLC6A4SLC6A3MAPK1PDE7A
SCHEMBL917610 0.89 LMNA (0.36) SLC6A2SLC6A4SLC6A3MAPK1PDE7A
SCHEMBL915088 0.89 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MAPK1PDE7A
SCHEMBL916726 0.88 KMT2A (0.36) SLC6A2SLC6A4SLC6A3MAPK1PDE7A
SCHEMBL917353 0.88 MAPT (0.35) SLC6A2SLC6A4SLC6A3MAPK1PDE7A
SCHEMBL916625 0.88 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MAPK1PDE7A
SCHEMBL916282 0.88 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3MAPK1PDE7A
SCHEMBL916806 0.88 MAPT (0.35) SLC6A2SLC6A4SLC6A3MAPK1PDE7A
SCHEMBL918071 0.88 MAPT (0.35) SLC6A2SLC6A4SLC6A3MAPK1PDE7A

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 7 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
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 SLC6A2 729/4885SLC6A4 374/4885SLC6A3 752/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 SLC6A2 1378/4885SLC6A4 582/4885SLC6A3 734/4885

“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.