SCHEMBL7004556

SCHEMBL7004556

O=C(O)C(CO)NOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MME P08473 2/20 0.47
GPR132 Q9UNW8 1/20 0.44
FOLH1 Q04609 1/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 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
SCHEMBL5507068 1.00 NPC1 (0.49) NPC1RAB9AMMEGPR132FOLH1
SCHEMBL5507066 1.00 NPC1 (0.49) NPC1RAB9AMMEGPR132FOLH1
SCHEMBL6130478 0.86 MME (0.51) NPC1RAB9AMMEGPR132CYP1A2
SCHEMBL7211707 0.86 MME (0.51) NPC1RAB9AMMEGPR132CYP1A2
SCHEMBL6130477 0.86 MME (0.51) NPC1RAB9AMMEGPR132CYP1A2
SCHEMBL2559773 0.85 GAA (0.50) NPC1RAB9AMMEFOLH1
SCHEMBL2559768 0.85 GAA (0.50) NPC1RAB9AMMEFOLH1
SCHEMBL8702185 0.83 MME (0.52) NPC1RAB9AMMEGPR132FOLH1
SCHEMBL10610612 0.82 FOLH1 (0.60) NPC1RAB9AMMEFOLH1
SCHEMBL10734377 0.82 NPC1 (0.45) NPC1RAB9AGPR132FOLH1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021132627-A1 METHOD FOR CULTURING HEMATOPOIETIC STEM CELLS 大日本住友製薬株式会社 2021-07-01 WO claimed
CN-103497306-B Side chain is with the ABA type three block biodegradable urethane and its production and use of amino CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-11-18 CN claimed
CN-103497306-A ABA type triblock biodegradable polyurethane with amino side chains and preparation method and uses thereof CHANGCHUN APPLIED CHEMISTRY 2014-01-08 CN claimed
US-6395077-B1 INKS WITH BENZOYLBENZOIC ACID AND COLORS XEROX CORPORATION 2002-05-28 US claimed
WO-2021132627-A1 METHOD FOR CULTURING HEMATOPOIETIC STEM CELLS 大日本住友製薬株式会社 2021-07-01 WO disclosed
US-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-08-04 US disclosed
CN-103497306-B Side chain is with the ABA type three block biodegradable urethane and its production and use of amino CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-11-18 CN disclosed
CN-103497306-A ABA type triblock biodegradable polyurethane with amino side chains and preparation method and uses thereof CHANGCHUN APPLIED CHEMISTRY 2014-01-08 CN disclosed
EP-1112071-A4 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2003-03-19 EP disclosed
US-6395077-B1 INKS WITH BENZOYLBENZOIC ACID AND COLORS XEROX CORPORATION 2002-05-28 US disclosed
EP-1112071-A1 GROWTH HORMONE SECRETAGOGUES Eli Lilly & Company (US) 2001-07-04 EP disclosed
WO-2000010565-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-03-02 WO disclosed
WO-1999008697-A1 TREATMENT OF CONGESTIVE HEART FAILURE WITH GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1999008699-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 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-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DNPEP, DDOST, ALAD NPC1 4417/4885RAB9A 3090/4885MME 679/4885

“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.