SCHEMBL916230

SCHEMBL916230

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.40
TTK P33981 1/20 0.39
AR P10275 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GRM4 Q14833 4/20 0.38
ACSS2 Q9NR19 1/20 0.37
SREBF2 Q12772 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC22A12 Q96S37 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
SCHEMBL916182 0.88 ACSS2 (0.38) GRM4ACSS2SREBF2MAPTKDM4E
SCHEMBL916255 0.88 SLC22A12 (0.45) GRM4ACSS2SREBF2MAPTKDM4E
SCHEMBL916140 0.87 AURKA (0.40) GRM4ACSS2SREBF2MAPTKDM4E
SCHEMBL916272 0.87 SLC22A12 (0.39) HPGDALDH1A1GRM4ACSS2SREBF2
SCHEMBL916206 0.85 GNRHR (0.39) ALDH1A1POLBACSS2SREBF2MEN1
SCHEMBL916474 0.84 IMPDH2 (0.40) IMPDH2TTKARHPGDALDH1A1
SCHEMBL916127 0.84 HPGD (0.36) ARHPGDALDH1A1POLBGRM4
SCHEMBL917623 0.83 F2 (0.36) ARALDH1A1POLBMAPTKMT2A
SCHEMBL917300 0.78 CYP1A2 (0.40) ARHPGDALDH1A1MEN1MAPT
SCHEMBL916116 0.75 ACSS2 (0.48) ACSS2SREBF2MAPT

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 IMPDH2 2572/4885TTK 4058/4885AR 2/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 IMPDH2 4438/4885TTK 4551/4885AR 2/4885

“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.