SCHEMBL19709381

SCHEMBL19709381

CNc1cc(C)nc(N[C@@H](C)C(C)OC)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ EHMT2 Q96KQ7 13/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ EHMT1 Q9H9B1 12/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ OGG1 O15527 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ DOT1L Q8TEK3 1/20 0.32

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
SCHEMBL12411159 0.80 NOS3 (0.48) NOS3NOS2EHMT2ALOX15EHMT1
SCHEMBL12499637 0.73 NOS3 (0.58) NOS3NOS2EHMT2ALOX15EHMT1
SCHEMBL16608839 0.69 LMNA (0.46) ALDH1A1OGG1GAAMAPTL3MBTL1
SCHEMBL12411171 0.68 GAA (0.46) NOS3NOS2ALDH1A1GAA
SCHEMBL25166554 0.66 NOS3 (0.48) NOS3NOS2ALOX15ALDH1A1GAA
SCHEMBL13437804 0.65 NOS3 (0.52) NOS3NOS2ALOX15ALDH1A1MAPT
SCHEMBL4915813 0.63 NOS3 (0.60) NOS3NOS2ALOX15ALDH1A1GAA
SCHEMBL12410776 0.63 LMNA (0.52) ALDH1A1GAAMAPTL3MBTL1
SCHEMBL19477060 0.63 EHMT2 (0.65) EHMT2EHMT1DOT1L
SCHEMBL25166016 0.63 ALDH1A1 (0.33) NOS3NOS2EHMT2EHMT1ALDH1A1

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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 — — 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 NOS3 1274/4885NOS2 1177/4885EHMT2 4/4885

“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.

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