SCHEMBL685495

SCHEMBL685495

COC(=O)Cn1nc(CO)c2c1C1CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL684866 0.82 KDM4E (0.32) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL679858 0.78 ALDH1A1 (0.34) ALDH1A1CNR1CNR2
SCHEMBL679049 0.70 PDE2A (0.36) KDM4EALDH1A1
SCHEMBL23792573 0.67 MAPK1 (0.40) KDM4EALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL1432852 0.66 NPC1 (0.41) KDM4EALDH1A1LMNATSHRCNR1
SCHEMBL18854120 0.65 NPSR1 (0.33) KDM4EALDH1A1HPGDKMT2ATSHR
SCHEMBL14487732 0.65 PDE4A (0.35) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL26926706 0.65 GAA (0.38) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL23214228 0.65 LMNA (0.41) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL16145120 0.64 CYP1A2 (0.36) KDM4EALDH1A1LMNAHPGDHTT

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 KDM4E 2265/4885ALDH1A1 668/4885LMNA 188/4885

“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.