SCHEMBL5285522

SCHEMBL5285522

COC(=O)Cn1nccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 3/20 0.52
GAA P10253 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
GLA P06280 1/20 0.49
RCE1 Q9Y256 1/20 0.49
MAPT P10636 2/20 0.47
TRPV1 Q8NER1 1/20 0.45
CNR2 P34972 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL10439147 0.85 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL15156844 0.82 HSD17B10 (0.47) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL10439292 0.80 MAP2K1 (0.44) KDM4ESMN1; SMN2KMT2ALMNAHPGD
SCHEMBL29152975 0.78 HPGD (0.49) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL5280976 0.77 GAA (0.55) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL29535160 0.76 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL4481659 0.76 KDM4E (0.71) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL6618657 0.75 KDM4E (0.50) KDM4EKMT2AALDH1A1LMNAHPGD
SCHEMBL27256819 0.75 GAA (0.56) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL9299670 0.74 KDM4E (0.42) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA

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 KDM4E 4305/4885SMN1; SMN2 3894/4885KMT2A 4422/4885

“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.