SCHEMBL678681

SCHEMBL678681

Cn1nc(C=O)c2c1C1(C)CCC2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 14/20 0.41
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL15730553 0.73 HSD11B1 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL679382 0.73 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL678395 0.70 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL4367607 0.65 HSD11B1 (0.47) SMN1; SMN2HSD11B1CYP3A4
SCHEMBL4368488 0.65 HSD11B1 (0.47) SMN1; SMN2HSD11B1CYP3A4
SCHEMBL15151452 0.65 HSD11B1 (0.47) SMN1; SMN2HSD11B1CYP3A4
SCHEMBL4631307 0.65 HSD11B1 (0.47) SMN1; SMN2HSD11B1CYP3A4
SCHEMBL10479522 0.61 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL680166 0.60
SCHEMBL16582795 0.59 NR1I2 (0.36) ALDH1A1MEN1KMT2AHSD11B1LMNA

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 3 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
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 SMN1; SMN2 3612/4885ALDH1A1 668/4885MEN1 3202/4885

“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.