SCHEMBL3229630

SCHEMBL3229630

Cc1cc(NC(=O)NC(CCCN2CCOCC2)c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)nc2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.42
JAK2 O60674 1/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
FLT3 P36888 1/20 0.37
PDCD1 Q15116 2/20 0.37

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
SCHEMBL3223625 0.95 EPHX2 (0.42) EPHX2JAK2HTR2AHTR2CCD274
SCHEMBL3225953 0.92 EPHX2 (0.45) EPHX2JAK2HTR2AHTR2CCD274
SCHEMBL3235294 0.88 CASR (0.44) EPHX2CD274
SCHEMBL3225124 0.88 LMNA (0.40) EPHX2FLT3
SCHEMBL4219747 0.88 CD274 (0.41) EPHX2JAK2HTR2AHTR2CCD274
SCHEMBL3218892 0.87 QPCT (0.41) EPHX2JAK2CD274FLT3PDCD1
SCHEMBL4224300 0.87 RAB9A (0.41) EPHX2JAK2CD274
SCHEMBL3230179 0.86 JAK2 (0.38) EPHX2JAK2CD274PDCD1
SCHEMBL3232291 0.86 EPHX2 (0.47) EPHX2JAK2CD274
SCHEMBL3234541 0.86 CASR (0.44) EPHX2JAK2CD274

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 EPHX2 4350/4885JAK2 3570/4885HTR2A 3087/4885

“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.