SCHEMBL13560705

SCHEMBL13560705

CSCCCCCCNC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX15 P16050 1/20 0.42
HIF1A Q16665 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.34
SPHK1 Q9NYA1 3/20 0.33
ALB P02768 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
PAOX Q6QHF9 2/20 0.32
TRPA1 O75762 3/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHX1 P07099 2/20 0.30

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
SCHEMBL13560704 0.98 MEN1 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL7058449 0.91
SCHEMBL10728146 0.83 SMN1; SMN2 (0.53) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL7063396 0.82
SCHEMBL11882788 0.82 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL10728151 0.82 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL434733 0.82 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL3072659 0.82 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL1923256 0.82 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL3069140 0.82 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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-20120277184-A1 BLOCKERS OF PORE-FORMING VIRULENCE FACTORS AND THEIR USE AS ANTI-INFECTIVES Innovative biologics, Inc (US) 2012-11-01 US disclosed
US-20080234182-A1 Compound having a symmetry and size capable of fitting to an opening of the pore of a pore-forming pathogen for binding such that upon binding, the pore or prepore is blocked, especially cyclodextrin derivatives; combatting biological warfare; drug screening; drug design INNOVATIVE BIOLOGICS, INC. (US) 2008-09-25 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 (2 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-20080234182-A1 Compound having a symmetry and size capable of fitting to an opening of the pore of a pore-forming pathogen for binding such that upon binding, the pore or prepore is blocked, especially cyclodextrin derivatives; combatting biological warfare; drug screening; drug design HAVCR2, GZMB, PRF1 MEN1 1276/4885CYP1A2 4151/4885KMT2A 4815/4885
US-20120277184-A1 BLOCKERS OF PORE-FORMING VIRULENCE FACTORS AND THEIR USE AS ANTI-INFECTIVES ANTXR2, LTA, GZMB MEN1 4287/4885CYP1A2 3933/4885KMT2A 4224/4885

“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.