SCHEMBL4156618

SCHEMBL4156618

COc1cccc(-c2nc(Cl)ccc2CC(=O)n2nnc3ccccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
NPSR1 Q6W5P4 2/20 0.52
F12 P00748 4/20 0.46
MGAM O43451 3/20 0.44
AMY1A P0DUB6 3/20 0.44
GAA P10253 3/20 0.44
SI P14410 3/20 0.44
MGAM2 Q2M2H8 3/20 0.44
DOT1L Q8TEK3 1/20 0.42
PTK2 Q05397 1/20 0.42
HPGD P15428 4/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL4052652 0.78 PTGDR2 (0.47) KMT2AHPGDLMNAALDH1A1KDM4E
SCHEMBL12648233 0.66 F12 (0.54) F12MGAMAMY1AGAASI
SCHEMBL4052629 0.66 GAPDH (0.46) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL426868 0.66 F12 (0.53) KMT2ANPSR1F12MGAMAMY1A
SCHEMBL18286215 0.65 MGAM (0.59) KMT2ANPSR1F12MGAMAMY1A
SCHEMBL462692 0.65 NPSR1 (0.60) KMT2ANPSR1F12MGAMAMY1A
SCHEMBL462691 0.65 NPSR1 (0.60) KMT2ANPSR1F12MGAMAMY1A
SCHEMBL12648420 0.65 F12 (0.53) KMT2ANPSR1F12MGAMAMY1A
SCHEMBL3130159 0.64 GAA (0.59) KMT2AF12MGAMAMY1AGAA
SCHEMBL13134139 0.64 GAA (0.58) KMT2ANPSR1F12MGAMAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
EP-2024371-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-02-18 EP disclosed
WO-2007134434-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-11-29 WO 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-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 KMT2A 2400/4885NPSR1 845/4885F12 2096/4885

“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.