SCHEMBL916182

SCHEMBL916182

CC(C)(C)OC(=O)Nc1ccc2c(Sc3ccccc3Br)cn(Cc3ccccn3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.38
SREBF2 Q12772 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
BCL2 P10415 2/20 0.36
BECN1 Q14457 1/20 0.36
GRM4 Q14833 2/20 0.35
MCL1 Q07820 1/20 0.35
KDR P35968 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 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
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
CYP17A1 P05093 1/20 0.33
RORC P51449 1/20 0.33
CFTR P13569 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 0.89 SLC22A12 (0.45) ACSS2SREBF2SLC22A12GRM4MCL1
SCHEMBL916230 0.88 IMPDH2 (0.40) ACSS2SREBF2SLC22A12GRM4MAPT
SCHEMBL916140 0.88 AURKA (0.40) ACSS2SREBF2SLC22A12GRM4MCL1
SCHEMBL916272 0.88 SLC22A12 (0.39) ACSS2SREBF2SLC22A12GRM4MCL1
SCHEMBL916206 0.87 GNRHR (0.39) ACSS2SREBF2SLC22A12MCL1NPC1
SCHEMBL915401 0.84 HDAC10 (0.37) ACSS2CA12CA1CA9RORC
SCHEMBL916116 0.76 ACSS2 (0.48) ACSS2SREBF2MCL1NPC1RAB9A
SCHEMBL13356963 0.76 LMNA (0.42) SLC22A12NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3253081 0.74 MEN1 (0.41) SLC22A12RAB9AMAPTLMNAKDM4E
SCHEMBL916385 0.73 ALDH1A1 (0.34) SLC22A12NPC1RAB9AMAPTLMNA

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 ACSS2 1358/4885SREBF2 273/4885SLC22A12 794/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 ACSS2 2125/4885SREBF2 2076/4885SLC22A12 2096/4885

“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.