SCHEMBL917628

SCHEMBL917628

CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
MAPT P10636 4/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 2/20 0.35
NSD2 O96028 1/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
F2 P00734 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAOA P21397 1/20 0.34
DRD1 P21728 1/20 0.34
ACHE P22303 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL2073701 0.86 PRKCI (0.53) PRKCIMAPTKDM4EALDH1A1NSD2
SCHEMBL16937932 0.81 HTR2A (0.49) MAPTADRA2AADORA3HTR2CHTR2A
SCHEMBL516662 0.79 HTR7 (0.40) SLC6A2SLC6A4HTR2CHTR2A
SCHEMBL29958009 0.79 HTR2C (0.50) MAPTSLC6A2SLC6A4HTR2CHTR2A
SCHEMBL12544395 0.79 HTR2C (0.50) MAPTSLC6A2SLC6A4HTR2CHTR2A
SCHEMBL916893 0.77 HTR6 (0.42) MAPTHTR6
SCHEMBL18953632 0.76 HTR2C (0.41) PRKCIMAPTHTR2CHTR2ACYP3A4
SCHEMBL30329138 0.73 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AHTR6HSD17B10
SCHEMBL15712463 0.73 PRKCI (0.44) PRKCIMAPTKDM4EALDH1A1NSD2
Hydrochloric Acid SCHEMBL28247797 0.72 SNCA (0.35) MAPTKDM4EALDH1A1NSD2LMNA

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 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
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 PRKCI 4316/4885MAPT 1573/4885KDM4E 1670/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 PRKCI 4477/4885MAPT 4558/4885KDM4E 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.