SCHEMBL916140

SCHEMBL916140

CC(C)(C)OC(=O)Nc1ccc2c(Sc3ccccc3C(N)=O)cn(Cc3ccccn3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.40
RPS6KB1 P23443 3/20 0.40
ADRA1D P25100 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
GRM4 Q14833 2/20 0.38
ACSS2 Q9NR19 1/20 0.37
SREBF2 Q12772 1/20 0.36
JAK2 O60674 2/20 0.36
KDM4E B2RXH2 1/20 0.34
MCL1 Q07820 1/20 0.34
KDR P35968 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
STING1 Q86WV6 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
JAK1 P23458 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL916255 0.93 SLC22A12 (0.45) AURKARPS6KB1SLC22A12GRM4ACSS2
SCHEMBL916272 0.92 SLC22A12 (0.39) AURKARPS6KB1SLC22A12GRM4ACSS2
SCHEMBL916182 0.88 ACSS2 (0.38) SLC22A12GRM4ACSS2SREBF2KDM4E
SCHEMBL916230 0.87 IMPDH2 (0.40) SLC22A12GRM4ACSS2SREBF2KDM4E
SCHEMBL916206 0.85 GNRHR (0.39) SLC22A12ACSS2SREBF2KDM4EMCL1
SCHEMBL13356963 0.76 LMNA (0.42) SLC22A12KDM4ENPC1MAPTRAB9A
SCHEMBL916116 0.75 ACSS2 (0.48) ACSS2SREBF2MCL1NPC1MAPT
SCHEMBL3253081 0.73 MEN1 (0.41) SLC22A12KDM4EMAPTRAB9A
SCHEMBL915401 0.72 HDAC10 (0.37) ACSS2CA12CA1CA9
SCHEMBL916385 0.72 ALDH1A1 (0.34) SLC22A12KDM4ENPC1MAPTRAB9A

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 AURKA 1737/4885RPS6KB1 3659/4885ADRA1D 89/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 AURKA 2668/4885RPS6KB1 3347/4885ADRA1D 193/4885

“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.