SCHEMBL8424602

SCHEMBL8424602

CCNC(=O)Cc1csc(-c2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 2/20 0.67
GAA P10253 1/20 0.67
LMNA P02545 4/20 0.66
HPGD P15428 3/20 0.66
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HTT P42858 2/20 0.58
SHMT1 P34896 3/20 0.58
SHMT2 P34897 3/20 0.58
MAPT P10636 1/20 0.58
TP53 P04637 1/20 0.58
RAB9A P51151 1/20 0.53

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
SCHEMBL8424253 0.86 TP53 (0.60) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL20255445 0.86 SHMT2 (0.74) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL12851276 0.86 KDM4E (0.74) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL21560130 0.84 KDM4E (0.64) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL8233766 0.83 KDM4E (0.75) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL14087050 0.81 KDM4E (0.67) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL1422234 0.81 LMNA (0.74) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL20255827 0.80 KDM4E (0.62) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL20255810 0.80 SHMT2 (0.79) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL21560128 0.80 SHMT1 (0.70) KDM4EALDH1A1GAALMNAMEN1

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
US-7335725-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20050203006-A1 Novel lipopeptides as antibacterial agents MERCK SHARP & DOHME CORP. 2005-09-15 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-20050203006-A1 Novel lipopeptides as antibacterial agents CLPTM1, NGLY1, VIP KDM4E 4432/4885ALDH1A1 4742/4885GAA 1055/4885

“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.