SCHEMBL26313600

SCHEMBL26313600

CCCN(CCC)C(=O)c1ccc(C(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.64
EGFR P00533 2/20 0.60
ERBB2 P04626 2/20 0.60
TP53 P04637 1/20 0.55
HPGD P15428 4/20 0.53
ALDH1A1 P00352 3/20 0.51
GABRA1 P14867 1/20 0.51
GABRB2 P47870 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
OPRD1 P41143 1/20 0.44

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
SCHEMBL9694832 0.92 MLYCD (0.72) MLYCDEGFRERBB2TP53HPGD
SCHEMBL4489409 0.84 MLYCD (0.64) MLYCDEGFRERBB2TP53HPGD
SCHEMBL26314066 0.84 MLYCD (0.64) MLYCDEGFRERBB2TP53HPGD
SCHEMBL7967022 0.84 MLYCD (0.64) MLYCDEGFRERBB2TP53HPGD
SCHEMBL5543209 0.82 MLYCD (0.62) MLYCDEGFRERBB2TP53HPGD
SCHEMBL7454658 0.82 MLYCD (0.62) MLYCDEGFRERBB2TP53HPGD
SCHEMBL10777907 0.82 MLYCD (0.62) MLYCDEGFRERBB2TP53HPGD
SCHEMBL21077862 0.82 MLYCD (0.62) MLYCDEGFRERBB2TP53HPGD
SCHEMBL10488234 0.82 MLYCD (0.62) MLYCDEGFRERBB2TP53HPGD
SCHEMBL15221192 0.82 MLYCD (0.67) MLYCDEGFRERBB2TP53HPGD

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-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE BACAINN BIOTHERAPEUTICS, LTD. (KY) 2023-08-17 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-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE NLRP3, PYCARD, NLRP1 MLYCD 291/4885EGFR 4163/4885ERBB2 4612/4885

“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.