SCHEMBL5421032

SCHEMBL5421032

CC(C)N(C(=O)Cn1c(=O)sc2ccc(-c3cccnc3)cc21)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.43
▸ CYP11B1 P15538 3/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ CTSA P10619 1/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.38
▸ MKNK2 Q9HBH9 2/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL746136 0.67 SIRT6 (0.49) CYP11B1CYP11B2ALDH1A1PIK3CAPIK3CG
SCHEMBL5412367 0.64 TSPO (0.80) TSPO
SCHEMBL3498715 0.63 MMP2 (0.59) CYP11B1CYP11B2ALDH1A1PIK3CAPIK3CG
SCHEMBL3499177 0.62 MKNK1 (0.55) CYP11B1CYP11B2PIK3CAPIK3CGMKNK1
SCHEMBL4540688 0.62 NAPRT (0.57) LMNA
SCHEMBL21159736 0.61 NTSR1 (0.45) CYP11B1CYP11B2NTSR1METAP2MKNK1
SCHEMBL19964502 0.61 CHEK1 (0.57) CYP11B1CYP11B2MAPK1LMNAPIK3CA
SCHEMBL9431623 0.61 CYP11B2 (0.62) CYP11B1CYP11B2ALDH1A1PIK3CAPIK3CG
SCHEMBL768881 0.61 MAPK14 (0.58) CYP11B1CYP11B2ALDH1A1
SCHEMBL12231011 0.60 CYP11B1 (0.59) CYP11B1CYP11B2ALDH1A1MKNK1MKNK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 — — US disclosed
EP-1719761-A1 NOVEL HETEROCYCLIC COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-11-08 — — EP 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 (1 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-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 TSPO 166/4885CYP11B1 159/4885CYP11B2 174/4885

“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.

Send feedback