SCHEMBL569098

SCHEMBL569098

COC(=O)C[C@@]1(N[S+]([O-])C(C)(C)C)CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
POLB P06746 7/20 0.36
ALDH1A1 P00352 6/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 4/20 0.36
GLA P06280 1/20 0.35
DRD2 P14416 1/20 0.35
AKR1B1 P15121 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.33
HSPA9 P38646 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BLM P54132 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
SCHEMBL569099 1.00 MEN1 (0.39) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL30512012 0.84 CHRNA7 (0.35) KMT2AAKR1B1NPC1RAB9A
SCHEMBL28941464 0.84 CHRNA7 (0.35) KMT2AAKR1B1NPC1RAB9A
SCHEMBL28749068 0.84 CHRNA7 (0.35) KMT2AAKR1B1NPC1RAB9A
SCHEMBL28749072 0.84 CHRNA7 (0.35) KMT2AAKR1B1NPC1RAB9A
SCHEMBL28941461 0.84 CHRNA7 (0.35) KMT2AAKR1B1NPC1RAB9A
SCHEMBL29689597 0.84 CHRNA7 (0.35) KMT2AAKR1B1NPC1RAB9A
SCHEMBL30512016 0.83 MMP1 (0.36) MEN1KMT2AMAPTLMNA
SCHEMBL30512009 0.83 MMP1 (0.36) MEN1KMT2AMAPTLMNA
SCHEMBL28749134 0.83 MMP1 (0.36) MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-13 US disclosed
US-8815881-B2 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-26 US disclosed
EP-2603496-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012019966-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A., AN ITALIAN COMPANY (IT) 2012-02-09 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 (2 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-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 MEN1 408/4885KMT2A 1384/4885POLB 1873/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 MEN1 408/4885KMT2A 1384/4885POLB 1873/4885

“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.