SCHEMBL4844273

SCHEMBL4844273

O=C(O)CN(CCNS(=O)(=O)c1nc2ccccc2s1)C(=O)Cn1cnc2c(NC(=O)OCc3ccc4c(c3)OCO4)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.35
GLO1 Q04760 1/20 0.34
ALDH1A1 P00352 6/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL3137401 0.94 ALDH1A1 (0.34) EDNRAGLO1ALDH1A1POLBKDM4E
SCHEMBL4844303 0.90 MEN1 (0.35) GLO1ALDH1A1POLBKDM4ELMNA
SCHEMBL4838681 0.89 ABL1 (0.34) ALDH1A1POLBKDM4ELMNAMAPT
SCHEMBL4834803 0.88 TSHR (0.33) EDNRAGLO1ALDH1A1POLBKDM4E
SCHEMBL4838731 0.88 PKM (0.34) GLO1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL4838083 0.84 ABL1 (0.38) EDNRAGLO1ALDH1A1POLBKDM4E
SCHEMBL3137591 0.83 KDR (0.38) ALDH1A1POLBKDM4ELMNASMN1; SMN2
SCHEMBL4838306 0.83 PDE4A (0.32) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL4838426 0.82 PDE4A (0.32) TDP1FGFR1FGFR4
SCHEMBL3136494 0.82 SMN1; SMN2 (0.34) ALDH1A1POLBKDM4ELMNASMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 US disclosed
US-7371860-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2008-05-13 US disclosed
US-7179896-B2 Method of making PNA oligomers PANAGENE, INC. (KR) 2007-02-20 US disclosed
US-7145006-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-12-05 US disclosed
US-7125994-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-10-24 US disclosed
US-20060008835-A1 PNA monomer and precursor KIM SUNG K 2006-01-12 US disclosed
US-20060003374-A1 Method of making PNA oligomers KIM SUNG K 2006-01-05 US disclosed
US-20050283005-A1 PNA monomer and precursor KIM SUNG K 2005-12-22 US disclosed
US-6969766-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-29 US disclosed
US-20050250785-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-10 US disclosed
US-20050250786-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-10 US disclosed
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 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 (6 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-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL EDNRA 295/4885GLO1 1357/4885ALDH1A1 3966/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL EDNRA 295/4885GLO1 1357/4885ALDH1A1 3966/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL EDNRA 396/4885GLO1 1537/4885ALDH1A1 4151/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL EDNRA 295/4885GLO1 1357/4885ALDH1A1 3966/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 EDNRA 90/4885GLO1 914/4885ALDH1A1 3448/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR EDNRA 213/4885GLO1 1227/4885ALDH1A1 4029/4885

“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.