SCHEMBL1797186

SCHEMBL1797186

N=C(N)N(c1ccccc1)[C@@H](CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMPD2 O60906 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 3/20 0.35
BLM P54132 2/20 0.35
PKM P14618 2/20 0.35
POLB P06746 2/20 0.35
RECQL P46063 2/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F12 P00748 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
CYP3A4 P08684 1/20 0.35
PARP1 P09874 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3276914 0.86 ALDH1A1 (0.41) ALDH1A1LMNATP53SMN1; SMN2SMPD2
SCHEMBL4456102 0.80 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2SMPD2
SCHEMBL27888110 0.79 MLYCD (0.45) ALDH1A1LMNATP53SMN1; SMN2SMPD2
SCHEMBL7405520 0.79 ALDH1A1 (0.45) ALDH1A1LMNATP53SMN1; SMN2SMPD2
SCHEMBL10861618 0.79 MLYCD (0.45) ALDH1A1LMNATP53SMN1; SMN2SMPD2
SCHEMBL7405523 0.79 ALDH1A1 (0.45) ALDH1A1LMNATP53SMN1; SMN2SMPD2
SCHEMBL7209762 0.76 ALDH1A1 (0.45) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL7537102 0.75 SMPD2 (0.39) ALDH1A1LMNATP53SMN1; SMN2SMPD2
SCHEMBL3276902 0.75 SMPD2 (0.39) ALDH1A1LMNATP53SMN1; SMN2SMPD2
SCHEMBL21776703 0.74 NPSR1 (0.41) ALDH1A1LMNATP53SMN1; SMN2SMPD2

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-7951943-B2 Method for preparing and purifying 3-hydroxyamidinophenylalanine compounds WILEX AG (DE) 2011-05-31 US disclosed
US-20090099360-A9 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid WILEX AG (DE) 2009-04-16 US disclosed
US-20080039626-A1 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid WILEX AG (DE) 2008-02-14 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 (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-20090099360-A9 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid PEPD, PAH, PRSS3 ALDH1A1 2416/4885LMNA 1222/4885TP53 4132/4885
US-20080039626-A1 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid PEPD, PAH, PRSS3 ALDH1A1 2416/4885LMNA 1222/4885TP53 4132/4885

“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.