SCHEMBL3389546

SCHEMBL3389546

CC(C)(C)[C@@]12C[C@@H]1C[C@@H](CN1C(=O)c3ccccc3C1=O)N(C(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
KEAP1 Q14145 4/20 0.36
ALDH1A1 P00352 3/20 0.36
ACHE P22303 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL15059905 0.77 CA12 (0.38) MEN1NPC1RAB9AKMT2ACA12
SCHEMBL15059904 0.77 CA12 (0.38) MEN1NPC1RAB9AKMT2ACA12
SCHEMBL610131 0.75
SCHEMBL20956740 0.75 CA12 (0.42) MEN1KMT2ACA12CA9KEAP1
SCHEMBL20956739 0.75 CA12 (0.42) MEN1KMT2ACA12CA9KEAP1
SCHEMBL3390102 0.74
SCHEMBL20974188 0.73 CA12 (0.38) MEN1NPC1RAB9AKMT2ACA12
SCHEMBL23119910 0.72 CA12 (0.44) MEN1KMT2ACA12CA9KEAP1
SCHEMBL4298286 0.72 CA12 (0.44) MEN1KMT2ACA12CA9KEAP1
SCHEMBL16534019 0.72 MEN1 (0.38) MEN1NPC1RAB9AKMT2ACA12

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-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B MEN1 1353/4885NPC1 139/4885RAB9A 308/4885

“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.