SCHEMBL679382

SCHEMBL679382

Cn1nc(CO)c2c1C1(C)CCC2C1(C)C

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
HSD11B1 P28845 16/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 3/20 0.38

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
SCHEMBL10479385 0.78 ALDH1A1 (1.00) ALDH1A1HSD11B1SMN1; SMN2MEN1KMT2A
SCHEMBL15730553 0.73 HSD11B1 (0.44) ALDH1A1HSD11B1SMN1; SMN2MEN1KMT2A
SCHEMBL678681 0.73 SMN1; SMN2 (0.43) ALDH1A1HSD11B1SMN1; SMN2MEN1KMT2A
SCHEMBL678395 0.72 SMN1; SMN2 (0.48) ALDH1A1HSD11B1SMN1; SMN2MEN1KMT2A
SCHEMBL686685 0.64 ALDH1A1 (0.33) ALDH1A1
SCHEMBL679853 0.63 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4631307 0.62 HSD11B1 (0.47) HSD11B1SMN1; SMN2CYP3A4
SCHEMBL4367607 0.62 HSD11B1 (0.47) HSD11B1SMN1; SMN2CYP3A4
SCHEMBL4368488 0.62 HSD11B1 (0.47) HSD11B1SMN1; SMN2CYP3A4
SCHEMBL15151452 0.62 HSD11B1 (0.47) HSD11B1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2011-11-24 US disclosed
US-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2011-11-24 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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS B2M, MRPL21, RCE1 ALDH1A1 668/4885HSD11B1 1193/4885SMN1; SMN2 3612/4885

“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.