SCHEMBL5556571

SCHEMBL5556571

CCOC(=O)CCCCCSc1cccc(NC(=S)NN)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 3/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.39
IDO1 P14902 3/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5556466 0.79 PTGDR2 (0.45) ALDH1A1KMT2AMAPTSMN1; SMN2PTGDR2
SCHEMBL7364397 0.75 HDAC1 (0.57) ALDH1A1MAPTKDM4ESMN1; SMN2PTGDR2
SCHEMBL3168541 0.75 PTGDR2 (0.44) ALDH1A1KMT2AMAPTSMN1; SMN2PTGDR2
SCHEMBL6191976 0.74 EGFR (0.46) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5556417 0.73 PTGDR2 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6153749 0.73 KMT2A (0.49) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3169884 0.73 MTNR1B (0.55) ALDH1A1GAASMN1; SMN2HPGDLMNA
SCHEMBL7368226 0.73 CNR2 (0.57) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL5552521 0.71 SMN1; SMN2 (0.71) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6345753 0.70 CNR2 (0.53) MEN1KMT2AMAPTGAAPTGDR2

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-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF ALDH1A1 4059/4885MEN1 3362/4885KMT2A 4006/4885

“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.