SCHEMBL3818243

SCHEMBL3818243

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
SCD O00767 1/20 0.39
MAP3K5 Q99683 1/20 0.39
STAT3 P40763 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3823809 0.89 RAB9A (0.43) RAB9ANPC1SCDMAP3K5TP53
SCHEMBL7852208 0.88 HDAC1 (0.43) RAB9ANPC1POLB
SCHEMBL7843904 0.88 SCD (0.43) RAB9ANPC1POLBSCDSMN1; SMN2
SCHEMBL434582 0.79 CDK1 (0.43) RAB9ANPC1POLBTP53
SCHEMBL3139870 0.78 MEN1 (0.48)
SCHEMBL10077237 0.78 RAB9A (0.40) RAB9ANPC1POLBSCDTP53
SCHEMBL3130095 0.78 TDP1 (0.48) RAB9ANPC1POLBSMN1; SMN2
SCHEMBL9435377 0.77 NPC1 (0.42) RAB9ANPC1POLBSCDMAP3K5
SCHEMBL13394865 0.77 RAB9A (0.35) RAB9ANPC1SCDTP53
SCHEMBL608239 0.75 CDK1 (0.41) SMN1; SMN2

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 1356/4885POLB 92/4885

“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.