SCHEMBL3229349

SCHEMBL3229349

O=C(O)C1=CCC2C(=Cc3cn4c(n3)CN(Cc3ccccc3)CC4)C(=O)N12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.37
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
S1PR4 O95977 1/20 0.34
POLB P06746 1/20 0.34
S1PR1 P21453 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ACHE P22303 3/20 0.34
LTA4H P09960 2/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL2926205 0.83 COMT (0.37) COMT
SCHEMBL3222474 0.74 PRMT5 (0.45) ALDH1A1MAPTADORA1NPC1RAB9A
SCHEMBL2923547 0.72 COMT (0.46) COMTALDH1A1LMNAMAPTADORA2A
SCHEMBL28638045 0.69 GAA (0.43) COMTALDH1A1LMNAMAPTNPC1
SCHEMBL3261966 0.65 ABCB1 (0.41) MAPTHDAC6ACHEHDAC1
SCHEMBL2922955 0.62 LMNA (0.52) ALDH1A1LMNAMAPTADORA1LTA4H
SCHEMBL19586255 0.62 GAA (0.47) ALDH1A1MAPTSMN1; SMN2KDM1AHDAC6
SCHEMBL14837570 0.57 SIGMAR1 (0.52) COMTALDH1A1LMNAADORA2AADORA1
SCHEMBL6382726 0.57 HRH4 (0.31)
SCHEMBL9207098 0.57 ALDH1A1 (0.52) ALDH1A1LMNANPC1SMN1; SMN2MEN1

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-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 US claimed
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 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-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors MGAM, CYP2C18, BCAT2 COMT 233/4885ALDH1A1 688/4885LMNA 251/4885

“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.