SCHEMBL13547222

SCHEMBL13547222

CN1CCCCC(NC(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPT P10636 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ EPHX1 P07099 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ SSTR4 P31391 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DPP7 Q9UHL4 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
SCHEMBL13547377 0.96 KDM4E (0.43) KDM4EMAPTSIGMAR1ALDH1A1SSTR4
SCHEMBL13547225 0.96 KDM4E (0.46) KDM4EMAPTSIGMAR1ALDH1A1EPHX1
SCHEMBL13547213 0.85 EPHX1 (0.49) KDM4EMAPTALDH1A1EPHX1HTT
SCHEMBL2676319 0.85 EPHX1 (0.49) KDM4EMAPTALDH1A1EPHX1HTT
SCHEMBL14559360 0.85 CHRNB2 (0.39) KDM4EMAPT
SCHEMBL12811829 0.84 EPHX1 (0.42) KDM4EMAPTALDH1A1EPHX1EPHX2
SCHEMBL3617697 0.78 HTT (0.36) KDM4EMAPTALDH1A1EPHX1HTT
SCHEMBL3612641 0.78 HTT (0.36) KDM4EMAPTALDH1A1EPHX1HTT
SCHEMBL4054667 0.78 PKM (0.40) SMN1; SMN2
SCHEMBL3605866 0.78 PKM (0.40) SMN1; SMN2

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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 — — 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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, SI, MGAM2 KDM4E 2398/4885MAPT 4288/4885SIGMAR1 2341/4885

“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.

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