SCHEMBL4818941

SCHEMBL4818941

CCOC(=O)CN1c2ccccc2Oc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
RXFP1 Q9HBX9 1/20 0.58
NPSR1 Q6W5P4 1/20 0.52
P2RX4 Q99571 3/20 0.51
ALDH1A1 P00352 3/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
LMNA P02545 1/20 0.50
PIN1 Q13526 1/20 0.49
PIN4 Q9Y237 1/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL2627034 0.80 USP2 (0.70) MEN1KMT2ANPSR1ALDH1A1LMNA
SCHEMBL15791191 0.78 NPSR1 (0.67) MEN1KMT2ANPSR1ALDH1A1GSK3A
SCHEMBL21027095 0.77 ALDH1A1 (0.58) MEN1KMT2ANPSR1ALDH1A1GSK3A
SCHEMBL5087842 0.76 MEN1 (0.55) MEN1KMT2AP2RX4ALDH1A1
SCHEMBL11453331 0.76 ALDH1A1 (0.77) MEN1KMT2ANPSR1ALDH1A1GSK3A
SCHEMBL12311071 0.75 P2RX4 (0.59) P2RX4
SCHEMBL5737827 0.75 GAA (0.47) MEN1KMT2ARXFP1NPSR1P2RX4
Iodide SCHEMBL8040227 0.74 NPSR1 (0.48) MEN1KMT2ANPSR1ALDH1A1GSK3A
SCHEMBL5738618 0.73 ALDH1A1 (0.46) MEN1KMT2ARXFP1P2RX4ALDH1A1
SCHEMBL4987320 0.73 ALDH1A1 (0.71) MEN1KMT2ANPSR1ALDH1A1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414128-B2 Crystalline R-guanidines, Arginine or (L)-Arginine (2S)-2-Ethoxy-3-{4-[2-(10H -phenoxazin-10-yl)ethoxy]phenyl}propanoate DR. REDDY'S LABORATORIES, LIMITED (IN) 2008-08-19 US disclosed
US-7414128-B2 Crystalline R-guanidines, Arginine or (L)-Arginine (2S)-2-Ethoxy-3-{4-[2-(10H -phenoxazin-10-yl)ethoxy]phenyl}propanoate DR. REDDY'S LABORATORIES, LIMITED (IN) 2008-08-19 US disclosed
US-7414128-B2 Crystalline R-guanidines, Arginine or (L)-Arginine (2S)-2-Ethoxy-3-{4-[2-(10H -phenoxazin-10-yl)ethoxy]phenyl}propanoate DR. REDDY'S LABORATORIES, LIMITED (IN) 2008-08-19 US disclosed
US-20050159600-A1 Crystalline R-guanidines, arginine or (L)-arginine (2S)-2-ethoxy-3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoate DR. REDDY'S LABORATORIES, INC. 2005-07-21 US disclosed
US-20030004341-A1 Crystalline R-guanidines, arginine or (L)-arginine (2S)-2-ethoxy-3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoate EBDRUP SOREN (DK) 2003-01-02 US disclosed
WO-2000063189-A1 CRYSTALLINE R- GUANIDINES, ARGININE OR (L) -ARGININE (2S) -2- ETHOXY -3-{4- [2-(10H -PHENOXAZIN -10-YL)ETHOXY]PHENYL}PROPANOATE NOVO NORDISK A/S (DK) 2000-10-26 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 (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-20050159600-A1 Crystalline R-guanidines, arginine or (L)-arginine (2S)-2-ethoxy-3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoate PRMT3, ARG1, ARGLU1 MEN1 4456/4885KMT2A 3369/4885RXFP1 331/4885
US-20030004341-A1 Crystalline R-guanidines, arginine or (L)-arginine (2S)-2-ethoxy-3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoate PRMT3, ARG1, ARGLU1 MEN1 4480/4885KMT2A 2788/4885RXFP1 255/4885

“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.