SCHEMBL6375313

SCHEMBL6375313

COC(c1ccccc1)C1CCN(c2ccc(C(=O)NN)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 5/20 0.43
MCHR1 Q99705 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
USP2 O75604 2/20 0.42
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNQ2 O43526 1/20 0.41

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
SCHEMBL7082982 0.88 USP2 (0.49) KMT2AMEN1POLBMAPTMCHR1
SCHEMBL7082872 0.87 USP2 (0.56) KMT2AMEN1POLBMAPTL3MBTL1
SCHEMBL6372155 0.87 ALDH1A1 (0.45) KMT2AMEN1POLBMAPTMCHR1
SCHEMBL6379753 0.85 NPY2R (0.52) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6379080 0.77 NOX1 (0.46) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6374861 0.77 NOX1 (0.45) USP2FPR2PROKR1
SCHEMBL31162733 0.75 FFAR4 (0.59) KMT2AMEN1MAPT
SCHEMBL7086566 0.73 FPR2 (0.50) KMT2AMEN1RAB9AFPR2PROKR1
SCHEMBL6135560 0.72 FFAR4 (0.53) KMT2AMEN1NPC1RAB9APKM
SCHEMBL3085835 0.72 AOC2 (0.59) KMT2AMEN1MAPTL3MBTL1SMYD3

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-20050181988-A1 Echinocandin cyclic peptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 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-20050181988-A1 Echinocandin cyclic peptide derivatives NGLY1, ARG1, ERG28 KMT2A 4485/4885MEN1 1139/4885POLB 3102/4885

“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.