SCHEMBL10197990

SCHEMBL10197990

CCC[C@](N)(CC(C)=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 4/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GLO1 Q04760 2/20 0.41
ALOX12 P18054 1/20 0.40
KMO O15229 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
ACHE P22303 1/20 0.40
ALOX15 P16050 1/20 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
SCHEMBL569101 0.86 MEN1 (0.47) PTPRCALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL569100 0.86 MEN1 (0.47) PTPRCALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL10197987 0.82 PTPRC (0.52) PTPRCALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL287262 0.77 MEN1 (0.48) PTPRCALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL287261 0.77 MEN1 (0.48) PTPRCALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL10274114 0.76 MAPT (0.43) PTPRCALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL23059383 0.73 PTPRC (0.51) PTPRCALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL245910 0.73 PTPRC (0.57) PTPRCALDH1A1SMN1; SMN2TSHRMAPT
Dinitrophenylene SCHEMBL27724274 0.73 TSHR (0.77) ALDH1A1SMN1; SMN2TSHRMAPTMEN1
SCHEMBL10197982 0.72 PTPRC (0.54) PTPRCALDH1A1SMN1; SMN2TSHRMAPT

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-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
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 PTPRC 3262/4885ALDH1A1 326/4885SMN1; SMN2 512/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 PTPRC 3262/4885ALDH1A1 326/4885SMN1; SMN2 512/4885

“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.