SCHEMBL916272

SCHEMBL916272

COC(=O)c1ccccc1Sc1cn(Cc2ccccn2)c2cc(NC(=O)OC(C)(C)C)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.39
GRM4 Q14833 2/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
ACSS2 Q9NR19 1/20 0.37
ALOX15 P16050 1/20 0.37
SREBF2 Q12772 1/20 0.36
ATR Q13535 1/20 0.36
MCL1 Q07820 1/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
LMNA P02545 1/20 0.35
MAPK10 P53779 1/20 0.35
PLA2G2A P14555 1/20 0.34
KDR P35968 2/20 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
SCHEMBL916255 0.93 SLC22A12 (0.45) SLC22A12GRM4KDM4EACSS2SREBF2
SCHEMBL916140 0.92 AURKA (0.40) SLC22A12GRM4KDM4EACSS2SREBF2
SCHEMBL916182 0.88 ACSS2 (0.38) SLC22A12GRM4KDM4EACSS2SREBF2
SCHEMBL916230 0.87 IMPDH2 (0.40) SLC22A12GRM4KDM4EALDH1A1ACSS2
SCHEMBL916206 0.85 GNRHR (0.39) SLC22A12KDM4EALDH1A1ACSS2SREBF2
SCHEMBL916116 0.75 ACSS2 (0.48) ACSS2SREBF2MCL1SMN1; SMN2LMNA
SCHEMBL13356963 0.74 LMNA (0.42) SLC22A12KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL916309 0.73 P2RX3 (0.34) ALDH1A1HSD17B10SMN1; SMN2MAPK1LMNA
SCHEMBL3253081 0.73 MEN1 (0.41) SLC22A12KDM4EALDH1A1HPGDLMNA
SCHEMBL915401 0.72 HDAC10 (0.37) ALDH1A1ACSS2MAPK1MEN1KMT2A

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 SLC22A12 794/4885GRM4 1931/4885KDM4E 1670/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 SLC22A12 2096/4885GRM4 736/4885KDM4E 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.