SCHEMBL5557412

SCHEMBL5557412

O=C(O)CC(CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.64
MEN1 O00255 7/20 0.64
TSHR P16473 2/20 0.64
MAPT P10636 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP3A4 P08684 1/20 0.64
ALOX15 P16050 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ANPEP P15144 1/20 0.62
ERAP2 Q6P179 1/20 0.62
ERAP1 Q9NZ08 1/20 0.62
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PKM P14618 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL5558743 0.90 KMT2A (0.61) KMT2AMEN1TSHRMAPTKDM4E
SCHEMBL5556791 0.87 MEN1 (0.59) KMT2AMEN1TSHRMAPTKDM4E
SCHEMBL5556856 0.86 ANPEP (0.57) KMT2AMEN1TSHRMAPTKDM4E
SCHEMBL4840553 0.84 MEN1 (0.60) KMT2AMEN1TSHRMAPTKDM4E
SCHEMBL7620303 0.84 CTSC (0.72) KMT2AMEN1TSHRMAPTKDM4E
SCHEMBL11768533 0.81 CTSC (0.69) KMT2AMEN1TSHRMAPTKDM4E
SCHEMBL8000479 0.81 BRS3 (0.65) KMT2ANMBRMMP9
SCHEMBL8000362 0.78 BRS3 (0.61) KMT2ANMBRMMP9
SCHEMBL7986870 0.78 BRS3 (0.59) NMBRMMP9
SCHEMBL7987513 0.78 BRS3 (0.59) KMT2ANMBRMMP9

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 KMT2A 4006/4885MEN1 3362/4885TSHR 4478/4885

“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.