SCHEMBL30007166

SCHEMBL30007166

NC(=O)c1cccc2[nH]c3cccc(OCC(=O)O)c3c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLA2G1B P04054 3/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G5 P39877 1/20 0.41
PLA2G2E Q9NZK7 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 1/20 0.40
PARP1 P09874 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL17950801 0.78 KDM4E (0.58) POLBSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL30179617 0.77 KDM4E (0.64) POLBSMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL24290 0.77 KDM4E (0.64) POLBSMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL30007625 0.76 PLA2G2A (0.35) PLA2G2APOLBSMN1; SMN2KDM4EHTT
SCHEMBL13485088 0.74 PLA2G2A (0.56) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL13982641 0.73 KDM4E (0.44) PLA2G2APOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL6625970 0.72 MEN1 (0.44) POLBSMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL817831 0.72 PLA2G2A (0.63) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL29862240 0.72 PLA2G2A (0.63) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6694348 0.71 LMNA (0.43) PLA2G2ASMN1; SMN2KDM4EHTTPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220370411-A1 EARLY MANAGEMENT, MITIGATION and PREVENTION OF SEPSIS and SEPSIS-LIKE SYNDROMES, INCLUDING NEO-NATAL ARDS DUE TO INFECTION, INJURY or IATROGENESIS OPHIREX INC (US) 2022-11-24 US claimed

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-20220370411-A1 EARLY MANAGEMENT, MITIGATION and PREVENTION OF SEPSIS and SEPSIS-LIKE SYNDROMES, INCLUDING NEO-NATAL ARDS DUE TO INFECTION, INJURY or IATROGENESIS PLA2G12A, PLA2G3, PLA2G1B PLA2G2A 14/4885POLB 283/4885SMN1; SMN2 237/4885

“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.