SCHEMBL6509893

SCHEMBL6509893

O=C(O)C(=O)NOCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
EPHX2 P34913 2/20 0.55
ALDH1A1 P00352 3/20 0.47
HDAC3 O15379 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7970706 0.86 NPC1 (0.62) NPC1RAB9AEPHX2ALDH1A1HDAC3
SCHEMBL295136 0.83 NPC1 (0.69) NPC1RAB9AEPHX2ALDH1A1HDAC3
SCHEMBL1990363 0.83 NPC1 (0.69) NPC1RAB9AEPHX2ALDH1A1HDAC3
SCHEMBL28782576 0.83 NPC1 (0.59) NPC1RAB9AEPHX2ALDH1A1HDAC3
SCHEMBL771707 0.82 NPC1 (0.57) NPC1RAB9AEPHX2ALDH1A1HDAC3
SCHEMBL693305 0.82 NPC1 (0.67) NPC1RAB9AEPHX2ALDH1A1HDAC3
Hydrochloric Acid SCHEMBL28989899 0.82 NPC1 (0.67) NPC1RAB9AEPHX2ALDH1A1HDAC3
Hydrogen Sulfide SCHEMBL5919025 0.82 NPC1 (0.67) NPC1RAB9AEPHX2ALDH1A1HDAC3
SCHEMBL7151183 0.80 NPC1 (0.56) NPC1RAB9AEPHX2ALDH1A1MAPK1
SCHEMBL680273 0.80 NPC1 (0.65) NPC1RAB9AEPHX2ALDH1A1

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
CN-117222628-A Compound for inhibiting apoptosis and preparation method thereof 中国科学院上海有机化学研究所 2023-12-12 CN disclosed
WO-2022228413-A1 COMPOUND FOR INHIBITING PROGRAMMED CELL DEATH AND PREPARATION METHOD THEREFOR 中国科学院上海有机化学研究所 2022-11-03 WO disclosed
CN-115246796-A Compound for inhibiting programmed cell death and preparation method thereof 中国科学院上海有机化学研究所 2022-10-28 CN disclosed
US-20050159599-A1 Cyclic compound, process for producing the same, and pest control agent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-21 US disclosed
EP-1481972-A1 CYCLIC COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PEST CONTROL AGENT Sumitomo Chemical Takeda Agro Company, Limited (JP) 2004-12-01 EP disclosed
US-5192358-A OXALIC ACID DERIVATIVES, THEIR PREPARATION AND PLANT GROWTH REGULATORS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-03-09 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 (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-20050159599-A1 Cyclic compound, process for producing the same, and pest control agent CNPY2, CNPY3, HAX1 NPC1 2157/4885RAB9A 1386/4885EPHX2 1257/4885

“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.