SCHEMBL2209888

SCHEMBL2209888

C[C@@H]1CN(c2ccc(-c3cc4ccccc4o3)nc2C=O)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
METAP2 P50579 1/20 0.38
MAPT P10636 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL2214659 0.81 NPC1 (0.41) CNR2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2216705 0.77 PIK3R1 (0.44) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2216714 0.76 GAA (0.38) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2212128 0.75 MTOR (0.45) NPC1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2213594 0.74 MTOR (0.43) NPC1ALDH1A1MEN1KMT2AGAA
SCHEMBL2213110 0.74 ALDH1A1 (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2215311 0.74 GAK (0.39) RAB9AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2212641 0.73 CNR2 (0.43) CNR2KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL2214863 0.73 GAK (0.36) RAB9AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2215269 0.73 MTOR (0.47) ALDH1A1KMT2AGAAL3MBTL1

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 CNR2 3504/4885NPC1 531/4885RAB9A 1749/4885

“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.