SCHEMBL5324181

SCHEMBL5324181

CCOC(=O)Cn1nc(-c2ccccc2)cc1C

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.74
ALDH1A1 P00352 5/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TSHR P16473 3/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPK1 P28482 1/20 0.58
POLB P06746 3/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL15656249 0.86 ALDH1A1 (0.77) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL15654670 0.82 HTT (0.65) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL26508519 0.80 HTT (0.61) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL26508546 0.79 HTT (0.60) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL24265151 0.79 HTT (0.60) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL5283603 0.78 HTT (0.60) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL25232022 0.78 HTT (0.56) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL3170230 0.77 LMNA (0.64) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL5292301 0.77 AURKA (0.48) HTTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL26924222 0.77 NPC1 (0.50) HTTALDH1A1MEN1KMT2ATSHR

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 2972/4885MEN1 2853/4885

“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.