SCHEMBL12075395

SCHEMBL12075395

CCc1ccc(CNCC(N)CNC(=N)N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
IDO1 P14902 2/20 0.41
ANPEP P15144 5/20 0.38
ERAP2 Q6P179 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MASP2 O00187 1/20 0.36
F2 P00734 1/20 0.36
APAF1 O14727 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL14083 0.89 CHRM2 (0.44) LMNAIDO1SMN1; SMN2ALDH1A1MEN1
SCHEMBL19571325 0.88 MEN1 (0.43) ANPEPERAP2L3MBTL1SMN1; SMN2RAB9A
SCHEMBL20124146 0.86 ANPEP (0.37) LMNAANPEPERAP2ALDH1A1MASP2
SCHEMBL11981656 0.86 ANPEP (0.50) ANPEPPOLBALDH1A1MEN1KMT2A
SCHEMBL11774 0.85 ANPEP (0.56) LMNAANPEPERAP2RAB9AMEN1
SCHEMBL11981551 0.84 BCHE (0.43) LMNAIDO1L3MBTL1ALDH1A1
SCHEMBL11981710 0.84 LMNA (0.42) LMNAIDO1ANPEPERAP2L3MBTL1
SCHEMBL11981716 0.83 LMNA (0.45) LMNAIDO1ANPEPERAP2L3MBTL1
SCHEMBL11981491 0.83 IDO1 (0.52) LMNAIDO1L3MBTL1SMN1; SMN2POLB
SCHEMBL11981601 0.81 LMNA (0.42) LMNAIDO1ANPEPERAP2L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT LMNA 2222/4885IDO1 1215/4885ANPEP 653/4885

“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.