SCHEMBL2215037

SCHEMBL2215037

C[C@@H]1CN(c2ccc(-c3nccs3)nc2C=O)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 4/20 0.34
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAK O14976 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GLA P06280 1/20 0.32
CYP1A1 P04798 1/20 0.32

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
SCHEMBL2216705 0.79 PIK3R1 (0.44) KCNH2HRH3KDM4EHTTALDH1A1
SCHEMBL2212128 0.79 MTOR (0.45) KCNH2KDM4EHTTALDH1A1KMT2A
SCHEMBL2215391 0.78 KMT2A (0.38) RAB9AKDM4EHTTALDH1A1MAPT
SCHEMBL2215615 0.78 TDP1 (0.42) RAB9AKCNH2HRH3KDM4EHTT
SCHEMBL2213015 0.78 GAA (0.35) RAB9AKDM4EHTTALDH1A1MAPT
SCHEMBL2213110 0.78 ALDH1A1 (0.42) RAB9AKCNH2HRH3KDM4EALDH1A1
SCHEMBL2214499 0.77 HTT (0.38) RAB9AKCNH2HRH3KDM4EHTT
SCHEMBL2214863 0.77 GAK (0.36) RAB9AKCNH2KDM4EHTTALDH1A1
SCHEMBL2213337 0.77 PIK3R1 (0.40) RAB9AKDM4EHTTALDH1A1MAPT
SCHEMBL2212136 0.76 TDP1 (0.39) KDM4EHTTALDH1A1MAPTHPGD

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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX RAB9A 1749/4885KCNH2 1379/4885HRH3 4035/4885

“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.