SCHEMBL21049600

SCHEMBL21049600

CCCCCCCCOC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
HPGD P15428 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
MAPT P10636 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPK1 P28482 2/20 0.61
CASP1 P29466 1/20 0.61
KDM4E B2RXH2 1/20 0.61
MCL1 Q07820 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
EPHX2 P34913 1/20 0.60
TSHR P16473 1/20 0.57
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL21059266 1.00 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL13329848 1.00 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL16374745 0.98 RAB9A (0.67) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL21059157 0.94 RAB9A (0.73) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL12411578 0.92 RAB9A (0.69) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL12723978 0.88 TSHR (0.67) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL21059175 0.87 L3MBTL1 (0.68) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL4840984 0.86 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL14052229 0.86 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7924710 0.86 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563050-B Amide salt compound, catalyst for polyurethane production and method for producing polyurethane resin 广荣化学株式会社 2023-06-02 CN disclosed
CN-110475765-B Preparation method of amide compound 广荣化学株式会社 2023-04-07 CN disclosed
EP-3604287-B1 PRODUCTION METHOD FOR AMIDATE COMPOUND KOEI CHEMICAL CO (JP) 2022-08-03 EP disclosed
EP-3495353-B1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL CO (JP) 2021-11-17 EP disclosed
US-10913724-B2 Production method for amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2021-02-09 US disclosed
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-06-23 US disclosed
EP-3604287-A1 PRODUCTION METHOD FOR AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2020-02-05 EP disclosed
CN-110475765-A The preparation method of amides compound KOEI CHEMICAL CO 2019-11-19 CN disclosed
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL COMPANY, LIMITED (JP) 2019-06-13 US disclosed
EP-3495353-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN Koei Chemical Company, Limited (JP) 2019-06-12 EP 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 (3 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-10913724-B2 Production method for amidate compound NAAA, PAM, CCKBR NPC1 2810/4885RAB9A 1730/4885SMN1; SMN2 3643/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 NPC1 3921/4885RAB9A 3202/4885SMN1; SMN2 2448/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 NPC1 3921/4885RAB9A 3202/4885SMN1; SMN2 2448/4885

“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.