SCHEMBL3229276

SCHEMBL3229276

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CNCC(=C=O)OC(C)(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 10/20 0.45
CD274 Q9NZQ7 10/20 0.45
HDAC1 Q13547 2/20 0.45
SCD O00767 1/20 0.42
MEN1 O00255 1/20 0.36
AHR P35869 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP1 P53582 1/20 0.36
BRD4 O60885 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL3229626 0.93 PDCD1 (0.44) PDCD1CD274HDAC1SCD
SCHEMBL3232105 0.88 PDCD1 (0.47) PDCD1CD274HDAC1SCDMEN1
SCHEMBL3234640 0.84 PDCD1 (0.64) PDCD1CD274HDAC1
SCHEMBL3224966 0.82 PDCD1 (0.56) PDCD1CD274HDAC1SCD
SCHEMBL3229254 0.82 PDCD1 (0.51) PDCD1CD274HDAC1SCDMEN1
SCHEMBL3221396 0.81 CD274 (0.50) PDCD1CD274HDAC1
SCHEMBL2384644 0.81 HDAC1 (0.47) PDCD1CD274HDAC1SCDMEN1
SCHEMBL3226070 0.80 PDCD1 (0.48) PDCD1CD274HDAC1SCDMEN1
SCHEMBL2383083 0.80 PDCD1 (0.53) PDCD1CD274HDAC1
SCHEMBL13569719 0.80 PDCD1 (0.48) PDCD1CD274HDAC1SCDMEN1

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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 PDCD1 4109/4885CD274 4707/4885HDAC1 1/4885

“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.