SCHEMBL917044

SCHEMBL917044

CN(C)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cccnc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR6 P51684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PTGS2 P35354 1/20 0.35
SLC29A1 Q99808 1/20 0.35
CHRM1 P11229 2/20 0.35
PDE7A Q13946 1/20 0.34
APP P05067 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
SCHEMBL710143 0.86 CNR1 (0.47) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL914973 0.86 KDM4E (0.36) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL916466 0.86 SMN1; SMN2 (0.41) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL916327 0.85 HTT (0.38) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL917293 0.84 PDE7A (0.36) HTTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3254071 0.84 APP (0.40) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL10131506 0.84 HTT (0.38) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL916895 0.83 ALDH1A1 (0.41) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL917626 0.83 KDM4E (0.35) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL3253955 0.82 HTT (0.40) HTTMAPTMEN1KMT2AKDM4E

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 HTT 2123/4885MAPT 1573/4885MEN1 326/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 HTT 2974/4885MAPT 4558/4885MEN1 2248/4885

“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.