SCHEMBL916895

SCHEMBL916895

CN(C)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccn3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 5/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
PDE7A Q13946 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL711766 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EHTTMAPK1TDP1
SCHEMBL916662 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EHTTMAPK1TDP1
SCHEMBL709130 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHTTMAPK1TDP1
SCHEMBL916215 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EHTTMAPK1TDP1
SCHEMBL915683 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHTTMAPK1TDP1
SCHEMBL710542 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EMAPK1MAPTGAA
Hydrochloric Acid SCHEMBL709675 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EMAPK1MAPTGAA
SCHEMBL917044 0.83 HTT (0.38) ALDH1A1KDM4EHTTMAPK1TDP1
SCHEMBL915447 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EHTTMAPK1TDP1
SCHEMBL10131626 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EHTTMAPK1TDP1

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 ALDH1A1 420/4885KDM4E 1670/4885HTT 2123/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 ALDH1A1 2340/4885KDM4E 1577/4885HTT 2974/4885

“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.