SCHEMBL916215

SCHEMBL916215

Nc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccn3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
PDE7A Q13946 6/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 6/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
HTT P42858 4/20 0.38
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RECQL P46063 1/20 0.35
PSMD14 O00487 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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 0.89 ALDH1A1 (0.46) ALDH1A1PDE7AKDM4ESMN1; SMN2MAPT
SCHEMBL3258210 0.87 LMNA (0.43) ALDH1A1PDE7AKDM4ESMN1; SMN2MAPT
SCHEMBL10131626 0.85 ALDH1A1 (0.41) ALDH1A1PDE7AKDM4ESMN1; SMN2MAPT
SCHEMBL915683 0.85 ALDH1A1 (0.41) ALDH1A1PDE7AKDM4ESMN1; SMN2MAPT
SCHEMBL916895 0.85 ALDH1A1 (0.41) ALDH1A1PDE7AKDM4ESMN1; SMN2MAPT
SCHEMBL710542 0.85 ALDH1A1 (0.44) ALDH1A1PDE7AKDM4ESMN1; SMN2MAPT
SCHEMBL709751 0.85 MAPT (0.47) ALDH1A1PDE7AKDM4ESMN1; SMN2MAPT
SCHEMBL711274 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTLMNAGAA
Hydrochloric Acid SCHEMBL709675 0.85 ALDH1A1 (0.43) ALDH1A1PDE7AKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL710238 0.85 MAPT (0.46) ALDH1A1PDE7AKDM4ESMN1; SMN2MAPT

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 6 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
EP-1742912-A1 NOVEL ANDROGENS N.V. Organon (NL) 2007-01-17 EP disclosed
WO-2005102998-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2005-11-03 WO 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 420/4885PDE7A 1475/4885KDM4E 1670/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 ALDH1A1 2340/4885PDE7A 3067/4885KDM4E 1577/4885

“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.