SCHEMBL5320906

SCHEMBL5320906

C=CCn1nc(-c2ccccc2)cc1CC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL5283603 0.87 HTT (0.60) HTTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL5323778 0.81 ALDH1A1 (0.57) HTTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL5298727 0.80 ALDH1A1 (0.57) HTTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL5414207 0.80 ALDH1A1 (0.45) HTTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL5294281 0.78 HTT (0.52) HTTALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL5966757 0.78 HTT (0.52) HTTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL5324181 0.74 HTT (0.74) HTTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL5285406 0.73 CNR1 (0.48) HTTALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL15656249 0.72 ALDH1A1 (0.77) HTTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL10608666 0.70 ALDH1A1 (0.56) HTTALDH1A1SMN1; SMN2POLBMEN1

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 HTT 4781/4885ALDH1A1 2972/4885SMN1; SMN2 3894/4885

“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.