SCHEMBL4835656

SCHEMBL4835656

CSCCOC(=O)Nc1nc2c(ncn2CC(=O)N2CCN(S(=O)(=O)c3nc4ccccc4s3)C(=O)C2)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
STAT1 P42224 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TK1 P04183 1/20 0.30

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
SCHEMBL4844711 0.89 RAB9A (0.37) TSHRMEN1KMT2ARAB9ATK1
SCHEMBL4838348 0.87 GALR3 (0.36) TSHRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4838651 0.87 MAPT (0.34) TSHRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4835831 0.86 TK1 (0.33) TSHRMEN1KMT2AMAPK1TK1
SCHEMBL4835794 0.85 SSTR5 (0.36) TSHRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4843290 0.84 KMT2A (0.36) TSHRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4835901 0.81 RAB9A (0.42) TSHRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4842283 0.79 F10 (0.32) KMT2AKDM4ETK1
SCHEMBL4835790 0.77 MEN1 (0.34) TSHRMEN1KMT2ATK1
SCHEMBL3138127 0.76 MEN1 (0.34) TSHRMEN1KMT2ASMN1; SMN2KDM4E

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 14 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-7371859-B2 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields 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-20060030709-A1 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields PANAGENE, INC. (KR) 2006-02-09 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 (7 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-20060030709-A1 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields RNGTT, POLL, RNMT TSHR 724/4885MEN1 4207/4885KMT2A 2563/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL TSHR 488/4885MEN1 3369/4885KMT2A 4022/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL TSHR 488/4885MEN1 3369/4885KMT2A 4022/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL TSHR 372/4885MEN1 3281/4885KMT2A 4071/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL TSHR 488/4885MEN1 3369/4885KMT2A 4022/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 TSHR 347/4885MEN1 3505/4885KMT2A 3823/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR TSHR 345/4885MEN1 4168/4885KMT2A 4022/4885

“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.