SCHEMBL3218892

SCHEMBL3218892

COc1ccc(NC(=O)NC(CCCCN2CCOCC2)c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)nc2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MCHR1 Q99705 1/20 0.41
MAPT P10636 3/20 0.40
EPHX2 P34913 3/20 0.40
JAK2 O60674 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK3 P52333 2/20 0.39
BTK Q06187 2/20 0.39
HDAC1 Q13547 1/20 0.39
WNT3A P56704 1/20 0.39
FLT3 P36888 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TP53 P04637 1/20 0.39
EGFR P00533 1/20 0.38
BRAF P15056 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
SCHEMBL3224363 0.91 TACR2 (0.44) CD274MAPTEPHX2JAK2ALDH1A1
SCHEMBL3225520 0.91 ALDH1A1 (0.47) PDCD1CD274MAPTMEN1KMT2A
SCHEMBL3225953 0.90 EPHX2 (0.45) CD274EPHX2JAK2FLT3
SCHEMBL3234541 0.89 CASR (0.44) CD274EPHX2JAK2
SCHEMBL3263866 0.89 CD274 (0.40) CD274MAPTEPHX2JAK2MEN1
SCHEMBL3230156 0.88 JAK2 (0.38) PDCD1CD274MAPTEPHX2JAK2
SCHEMBL3230756 0.88 EPHX2 (0.46) CD274EPHX2JAK2CYP2C9
SCHEMBL3229630 0.87 EPHX2 (0.42) PDCD1CD274EPHX2JAK2FLT3
SCHEMBL3223625 0.87 EPHX2 (0.42) CD274EPHX2JAK2FLT3ALDH1A1
SCHEMBL3235294 0.87 CASR (0.44) CD274EPHX2

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 QPCT 2796/4885PDCD1 4109/4885CD274 4707/4885

“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.