SCHEMBL6870402

SCHEMBL6870402

CCn1ccc2c(OCOCC[Si](C)(C)C)cc(C=O)cc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PTGER4 P35408 1/20 0.31
FDPS P14324 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6866952 0.86 CYP2A6 (0.38) ALOX5APFEN1FDPSALDH1A1MAPT
SCHEMBL6871273 0.84 ALDH1A1 (0.38) FDPSALDH1A1MAPTHPGD
SCHEMBL6867111 0.81 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL6872804 0.81 ALDH1A1 (0.47) PTGER4FDPSALDH1A1MAPTHPGD
SCHEMBL6862708 0.80 KDM5A (0.36) ALDH1A1MAPTHPGD
SCHEMBL17535443 0.76 PDE10A (0.36) PTGER4FDPSALDH1A1MAPTMEN1
SCHEMBL30279742 0.74 FDPS (0.53) FDPSALDH1A1MAPTHPGD
SCHEMBL21484715 0.74 FDPS (0.53) FDPSALDH1A1MAPTHPGD
SCHEMBL23580898 0.72 ALDH1A1 (0.53) FDPSALDH1A1MAPTHPGDKMT2A
SCHEMBL30279726 0.72 ALDH1A1 (0.53) FDPSALDH1A1MAPTHPGDKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280796-B1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2004-03-24 EP disclosed
US-6703397-B2 REACTING A NITRILE GROUP CONTAINING INDOLE DERIVEATIVE WITH GUANIDINE OR SALT; USEFUL AS PROHYLAXIS OR THERAPEUTICAL TREATMENT OF INFECTIOUS DISEASES BASILEA PHARMACEUTICA AG (CH) 2004-03-09 US disclosed
US-20030119857-A1 Pyrimidinyl methyl indole derivatives with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-06-26 US disclosed
EP-1280796-A1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-02-05 EP disclosed
WO-2001083474-A1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2001-11-08 WO 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-20030119857-A1 Pyrimidinyl methyl indole derivatives with antibacterial activity IDO1, IDO2, AANAT ALOX5AP 385/4885FEN1 4430/4885PTGER4 988/4885

“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.