SCHEMBL30007625

SCHEMBL30007625

NC(=O)c1cccc2[nH]c3c(Cc4ccccn4)ccc(OCC(=O)O)c3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.35
PARP1 P09874 4/20 0.35
DHODH Q02127 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
AURKA O14965 2/20 0.34
RPS6KB1 P23443 2/20 0.34
PNP P00491 1/20 0.33
PARP10 Q53GL7 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ERBB2 P04626 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
PLA2G10 O15496 2/20 0.33
PLA2G1B P04054 2/20 0.33
PLA2G5 P39877 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8375899 0.84 PARP1 (0.38) PARP1DHODHPARP2AURKARPS6KB1
SCHEMBL30007166 0.76 PLA2G2A (0.46) PLA2G2APARP1PTGDR2SMN1; SMN2ALDH1A1
SCHEMBL8372846 0.73 KDM4E (0.42) ALDH1A1PKMPOLBL3MBTL1KDM4E
SCHEMBL29862459 0.71 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL816785 0.71 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
Hydrochloric Acid SCHEMBL6691794 0.70 PLA2G2A (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL29818128 0.68 PARP10 (0.48) PARP1AURKARPS6KB1PARP10SMN1; SMN2
SCHEMBL166483 0.68 PARP10 (0.48) PARP1AURKARPS6KB1PARP10SMN1; SMN2
SCHEMBL6694348 0.68 LMNA (0.43) PLA2G2APARP1PTGDR2SMN1; SMN2HTT
SCHEMBL28310416 0.67 AURKA (0.44) PARP1AURKARPS6KB1PARP10SMN1; SMN2

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 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-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 14/4885PARP1 183/4885DHODH 3146/4885

“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.