SCHEMBL3222992

SCHEMBL3222992

O=C(O)N(Cc1cc2c(cn1)OCCO2)[C@H]1CCNC[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CHRNA7 P36544 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
USP7 Q93009 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL4131766 1.00 KCNH2 (0.32) KCNH2ALDH1A1KDM4EMAPTCHRNA7
SCHEMBL3223010 1.00 KCNH2 (0.32) KCNH2ALDH1A1KDM4EMAPTCHRNA7
SCHEMBL3223462 0.86 KCNH2 (0.32) KCNH2SLC6A2SLC6A4
SCHEMBL10313858 0.86 KCNH2 (0.32) KCNH2SLC6A2SLC6A4
SCHEMBL2767755 0.84 KDM4E (0.37) KCNH2ALDH1A1KDM4EMAPTCHRNA7
Water SCHEMBL3517045 0.83 KDM4E (0.37) KCNH2ALDH1A1KDM4EMAPTSLC6A2
SCHEMBL4140059 0.80 ALDH1A1 (0.36) KCNH2ALDH1A1KDM4EMAPTHPGD
SCHEMBL3223473 0.79 KCNH2 (0.34) KCNH2CHRNA7TSHR
SCHEMBL4144883 0.76 KCNH2 (0.33) KCNH2ALDH1A1KDM4EMAPTCHRNA7
SCHEMBL3225911 0.74 KDM4E (0.35) KCNH2ALDH1A1KDM4EMAPTHPGD

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-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 KCNH2 3105/4885ALDH1A1 4233/4885KDM4E 3723/4885

“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.