SCHEMBL24904269

SCHEMBL24904269

CC(C)c1ccc(C(=O)NCCC#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
EPHX2 P34913 1/20 0.46
HDAC3 O15379 1/20 0.45
MCHR1 Q99705 1/20 0.45
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43

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
SCHEMBL14213496 0.85 RAB9A (0.56) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL17658901 0.82 TP53BP1 (0.61) RAB9ANPC1SMN1; SMN2KMT2AEPHX2
SCHEMBL7244511 0.82 LMNA (0.62) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL17132595 0.80 HPGD (0.65) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL13813 0.80 HPGD (0.69) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL13762066 0.79 RAB9A (0.60) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL14441177 0.79 HPGD (0.63) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12089756 0.79 TSHR (0.67) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL23254707 0.79 HPGD (0.63) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3982160 0.78 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2LMNAMEN1

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.