SCHEMBL21171966

SCHEMBL21171966

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ncc(S)s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
USP30 Q70CQ3 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.48
HDAC4 P56524 1/20 0.47
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
PARP1 P09874 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL12124466 0.87 EPHX1 (0.52) EPHX1USP30L3MBTL1ALDH1A1MEN1
SCHEMBL23107983 0.77 USP30 (0.64) EPHX1USP30L3MBTL1ALDH1A1MEN1
SCHEMBL2957946 0.76 EPHX1 (0.55) EPHX1USP30L3MBTL1ALDH1A1MEN1
SCHEMBL16984667 0.75 USP30 (0.57) EPHX1USP30L3MBTL1ALDH1A1MEN1
SCHEMBL17592125 0.74 L3MBTL1 (0.60) EPHX1USP30L3MBTL1ALDH1A1MEN1
SCHEMBL12124278 0.74 NPC1 (0.57) EPHX1USP30L3MBTL1ALDH1A1KMT2A
SCHEMBL1994032 0.74 HDAC4 (0.56) EPHX1USP30L3MBTL1ALDH1A1MEN1
SCHEMBL2954898 0.74 HDAC4 (0.56) EPHX1USP30L3MBTL1ALDH1A1MEN1
SCHEMBL28975873 0.74 HDAC4 (0.60) EPHX1USP30L3MBTL1ALDH1A1MEN1
SCHEMBL4353976 0.74 MAOB (0.65) EPHX1USP30HDAC4PARP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218211-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-07-18 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 (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-20190218211-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES MAP4K2, MAP4K3, MAP3K1 EPHX1 2719/4885USP30 1832/4885L3MBTL1 3868/4885

“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.