SCHEMBL916726

SCHEMBL916726

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
PDE7A Q13946 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 5/20 0.34
ALDH3A1 P30838 1/20 0.34
GAA P10253 1/20 0.34
ALPG P10696 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TMEM97 Q5BJF2 2/20 0.32
HTT P42858 2/20 0.32
HSP90AA1 P07900 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL916280 0.89 MAPT (0.39) KMT2AMEN1MAPTLMNAPDE7A
SCHEMBL916097 0.88 KMT2A (0.39) KMT2AMEN1MAPTLMNAPDE7A
SCHEMBL917414 0.88 SLC6A2 (0.35) KMT2AMEN1MAPTLMNAPDE7A
SCHEMBL917353 0.88 MAPT (0.35) KMT2AMEN1MAPTLMNAPDE7A
SCHEMBL916625 0.87 SLC6A2 (0.39) KMT2AMEN1MAPTLMNAPDE7A
SCHEMBL918071 0.87 MAPT (0.35) KMT2AMEN1MAPTLMNAPDE7A
SCHEMBL916806 0.87 MAPT (0.35) KMT2AMEN1MAPTLMNAPDE7A
SCHEMBL916316 0.86 SLC2A1 (0.35) KMT2AMEN1MAPTLMNAPDE7A
SCHEMBL711220 0.86 ABCC9 (0.41) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL917610 0.86 LMNA (0.36) KMT2AMEN1MAPTLMNAPDE7A

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 KMT2A 1595/4885MEN1 326/4885MAPT 1573/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 KMT2A 3473/4885MEN1 2248/4885MAPT 4558/4885

“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.