SCHEMBL24904337

SCHEMBL24904337

CNCCCNC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.68
RAB9A P51151 6/20 0.65
NPC1 O15118 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
LMNA P02545 2/20 0.65
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.52
HDAC3 O15379 1/20 0.52
TP53BP1 Q12888 1/20 0.50
MCHR1 Q99705 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL23254707 0.90 HPGD (0.63) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL18232444 0.87 HPGD (0.68) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12090047 0.86 HPGD (0.67) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL26078960 0.86 HPGD (0.67) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL104793 0.85 HPGD (0.70) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12920005 0.85 HPGD (0.75) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL18232446 0.84 HPGD (0.65) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL13165401 0.84 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1HDAC3L3MBTL1
SCHEMBL18232447 0.84 HPGD (0.68) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL13577935 0.84 HPGD (0.68) HPGDRAB9ANPC1SMN1; SMN2LMNA

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-20230018460-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Infex Therapeutics Limited (GB) 2023-01-19 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-20230018460-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS CPN1, CMBL, ALDH7A1 HPGD 900/4885RAB9A 3357/4885NPC1 3923/4885

“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.