SCHEMBL6891653

SCHEMBL6891653

N[C@@H](Cc1ccccc1Nc1ccccn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.52
NOS1 P29475 3/20 0.52
NOS2 P35228 3/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK10 P53779 1/20 0.50
GFER P55789 1/20 0.50
PKM P14618 2/20 0.44
ALPI P09923 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
GAA P10253 1/20 0.42
TPH1 P17752 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL11443309 0.79 MEN1 (0.58) MEN1KMT2AMAPK10GFERPKM
SCHEMBL7985498 0.75 MEN1 (0.66) MEN1KMT2AMAPK10GFERPTGS1
SCHEMBL15208486 0.74 CYP2D6 (0.58) MEN1KMT2APKMALPIPTGS1
SCHEMBL15208481 0.74 CYP2D6 (0.58) MEN1KMT2APKMALPIPTGS1
SCHEMBL30919988 0.74 CYP2D6 (0.58) MEN1KMT2APKMALPIPTGS1
SCHEMBL30919995 0.74 CYP2D6 (0.58) MEN1KMT2APKMALPIPTGS1
SCHEMBL17234281 0.74 CYP2D6 (0.58) MEN1KMT2APKMALPIPTGS1
SCHEMBL9164980 0.74 SLC7A5 (0.69) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL13971424 0.74 SLC7A5 (0.69) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL11764797 0.73 NOS3 (0.58) NOS3NOS1NOS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713416-B2 POROSITY STRUCTURE; WATER IN OIL MICROEMULSION; MIXING SOLVENT AND SURFACTANT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2004-03-30 US disclosed
US-6660780-B2 Material that has been polymerized around molecules of an imprint compound in such a way that when the imprint group is removed from the material, cavities or \"imprinted sites\" remain in the material that are negative images of the imprint THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2003-12-09 US disclosed
US-20030191205-A1 MOLECULARLY-IMPRINTED MATERIAL MADE BY TEMPLATE-DIRECTED SYNTHESIS MARKOWITZ MICHAEL A (US) 2003-10-09 US disclosed
US-20030139483-A1 Molecularly-imprinted material made by template-directed synthesis NAVY, SECRETARY OF THE, THE UNITED STATES OF AMERICA AS, REPRESENTED BY THE 2003-07-24 US disclosed
US-6583191-B2 Combining surfactant coupled to imprint group with solvent to form a mixture and allowing surfactant to self-assemble; polymerizing monomer to form solid having a surface topography complementary to that of supramolecular structure UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2003-06-24 US disclosed
US-20020065334-A1 Molecularly-imprinted material made by template-directed synthesis UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2002-05-30 US disclosed
US-6310110-B1 COMBINING THE SURFACTANT COUPLED TO AN IMPRINT GROUP, COMBINING SURFACTANT WITH SOLVENT FOR SELF-ASSEMBLING OF SUPERMOLECULAR STRUCTURE, COMBINING IT WITH A REACTIVE MONOMER WHERE SUPERMOLECULE WORK AS TEMPLET FOR ORGNIZING USA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2001-10-30 US disclosed
WO-2001009035-A1 MOLECULARLY-IMPRINTED MATERIAL MADE BY TEMPLATE-DIRECTED SYNTHESIS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, ASREPRESENTED BY THE SECRETARY OF THE NAVY (US) 2001-02-08 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-20030139483-A1 Molecularly-imprinted material made by template-directed synthesis POLM, SGMS1, MSI2 NOS3 2861/4885NOS1 2651/4885NOS2 2620/4885

“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.