SCHEMBL3823809

SCHEMBL3823809

CCOC(=O)Cn1cnc2c(I)nc(NC(=O)OCc3ccccc3)nc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 5/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAP3K5 Q99683 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 3/20 0.39
SCD O00767 1/20 0.39
TMIGD3 P0DMS9 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PKM P14618 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
SCHEMBL3818243 0.89 RAB9A (0.41) RAB9ANPC1TP53MAP3K5SMN1; SMN2
SCHEMBL13394865 0.87 RAB9A (0.35) RAB9ANPC1TP53TSHRHTT
SCHEMBL6109392 0.85 L3MBTL1 (0.37) RAB9ANPC1TSHRALDH1A1GAA
SCHEMBL3137668 0.84 TDP1 (0.43) RAB9ANPC1TP53TSHRHTT
SCHEMBL10077231 0.81 TSHR (0.43) RAB9ANPC1TP53TSHRHTT
SCHEMBL10078215 0.80 TSHR (0.44) RAB9ANPC1TP53TSHRHTT
SCHEMBL6690200 0.80 TDP1 (0.49) RAB9ANPC1TP53TSHRHTT
SCHEMBL16203696 0.79 HDAC1 (0.56) TMIGD3ADORA2AADORA1
SCHEMBL7852208 0.78 HDAC1 (0.43) RAB9ANPC1
SCHEMBL7843904 0.77 SCD (0.43) RAB9ANPC1SMN1; SMN2SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470114-B1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2009-08-19 EP disclosed
US-7022851-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-04-04 US disclosed
EP-1470114-A4 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2005-05-11 EP disclosed
EP-1470114-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES Panagene, Inc. (KR) 2004-10-27 EP disclosed
US-20030195332-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-10-16 US disclosed
WO-2003062212-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE, INC. (US) 2003-07-31 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-20030195332-A1 PNA monomer and precursor RNGTT, NGLY1, NCL RAB9A 4226/4885NPC1 1356/4885TP53 778/4885

“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.