SCHEMBL916255

SCHEMBL916255

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.45
KDM4E B2RXH2 2/20 0.41
ACSS2 Q9NR19 1/20 0.39
GRM4 Q14833 3/20 0.39
SREBF2 Q12772 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 1/20 0.35
KDR P35968 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 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
SCHEMBL916140 0.93 AURKA (0.40) SLC22A12KDM4EACSS2GRM4SREBF2
SCHEMBL916272 0.93 SLC22A12 (0.39) SLC22A12KDM4EACSS2GRM4SREBF2
SCHEMBL916182 0.89 ACSS2 (0.38) SLC22A12KDM4EACSS2GRM4SREBF2
SCHEMBL916230 0.88 IMPDH2 (0.40) SLC22A12KDM4EACSS2GRM4SREBF2
SCHEMBL916206 0.86 GNRHR (0.39) SLC22A12KDM4EACSS2SREBF2NPC1
SCHEMBL916116 0.76 ACSS2 (0.48) ACSS2SREBF2NPC1RAB9ALMNA
SCHEMBL13356963 0.75 LMNA (0.42) SLC22A12KDM4ENPC1RAB9ALMNA
SCHEMBL3253081 0.73 MEN1 (0.41) SLC22A12KDM4ERAB9ALMNAMAPT
SCHEMBL915401 0.73 HDAC10 (0.37) ACSS2CA12CA1CA9
SCHEMBL916201 0.73 KDM4E (0.36) KDM4E

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 SLC22A12 794/4885KDM4E 1670/4885ACSS2 1358/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 SLC22A12 2096/4885KDM4E 1577/4885ACSS2 2125/4885

“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.