SCHEMBL4530316

SCHEMBL4530316

COc1ccc(C[C@@H](N)C(=O)N(C(=O)OC(C)(C)C)c2ccc(-c3ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 4/20 0.39
CIT O14578 2/20 0.38
MAPT P10636 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
CLK1 P49759 2/20 0.36
CLK2 P49760 2/20 0.36
DYRK1A Q13627 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
WNT3A P56704 2/20 0.34
LMNA P02545 1/20 0.34
GPR142 Q7Z601 1/20 0.34
ACACB O00763 1/20 0.34
PIK3CA P42336 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
SCHEMBL4519488 0.90 MAP4K4 (0.36) CITMAPTMEN1KMT2ACLK1
SCHEMBL4532204 0.90 CIT (0.42) TPH1CITGPR142
SCHEMBL4519177 0.85 GPR142 (0.46) TPH1CITMAPTMEN1KMT2A
SCHEMBL4530317 0.84 MAPT (0.35) TPH1MAPTMEN1KMT2ANPC1
SCHEMBL4533231 0.78 GPR142 (0.38) TPH1CITWNT3AGPR142ACACB
SCHEMBL4514376 0.74 GPR142 (0.43) TPH1GPR142
SCHEMBL4527459 0.74 GPR142 (0.43) TPH1GPR142
SCHEMBL4517312 0.74 GPR142 (0.43) NPC1CLK4LMNAGPR142
SCHEMBL4519491 0.74 MAP4K4 (0.37) MAPTMEN1KMT2ANPC1CLK1
SCHEMBL4529959 0.74 PAX8 (0.37) CITMAPTALDH1A1POLBGPR142

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA TPH1 3464/4885CIT 7/4885MAPT 236/4885

“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.