SCHEMBL5986576

SCHEMBL5986576

O=C(CC/C(=N/O)OC(=O)c1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
PTPN1 P18031 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL2356948 0.82 PRSS1 (0.42) RAB9AALDH1A1LMNAKMT2A
SCHEMBL6027320 0.80 ELANE (0.44) RAB9AALDH1A1HPGDLMNAMEN1
SCHEMBL28068262 0.80 NPC1 (0.55) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL4327858 0.78 HDAC1 (0.35) SMN1; SMN2LMNA
SCHEMBL16856755 0.77 SMN1; SMN2 (0.55) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL8581687 0.77 PTPN2 (0.36) PTPN1
SCHEMBL16670075 0.77 RAB9A (0.40) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL29459735 0.77 CES2 (0.65) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL777802 0.77 CES2 (0.65) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL2292815 0.76 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HDAC8

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-7057035-B2 N-hydroxysuccinimide process for conversion of phenols to carboxamides RENSSELAER POLYTECHNIC INSTITUTE (US) 2006-06-06 US disclosed
US-20050215799-A1 N-hydroxysuccinimide process for conversion of phenols to carboxamides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 US disclosed
WO-2004007449-A1 PROCESS FOR CONVERSION OF PHENOLS TO CARBOXAMIDES VIA THE SUCCINIMIDE ESTERS RENSSELAER POLYTECHNIC INSTITUTE (US) 2004-01-22 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-20050215799-A1 N-hydroxysuccinimide process for conversion of phenols to carboxamides HNMT, HAAO, CPS1 CES2 332/4885CES1 2654/4885NPC1 3872/4885

“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.