SCHEMBL4835671

SCHEMBL4835671

O=C(Nc1ccn(CC(=O)N2CCN(S(=O)(=O)c3nc4ccccc4s3)C(=O)C2)c(=O)n1)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
LMNA P02545 4/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 2/20 0.32
HSD17B10 Q99714 5/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPK1 P28482 3/20 0.32
ACP1 P24666 1/20 0.32
PTPN7 P35236 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN13 Q12923 1/20 0.32
SSU72 Q9NP77 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
ALDH1A1 P00352 3/20 0.31
TSHR P16473 3/20 0.31
HTT P42858 2/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL4842797 0.92 RAB9A (0.39) RAB9ALMNAMAPTKDM4EACP1
SCHEMBL4864634 0.92 RAB9A (0.40) RAB9ALMNAMAPTNPC1HSD17B10
SCHEMBL21525047 0.89 RAB9A (0.38) RAB9ALMNAMAPTACP1PTPN7
SCHEMBL21525045 0.88 RAB9A (0.37) RAB9AACP1PTPN7PTPN12PTPN13
SCHEMBL4839792 0.88 RAB9A (0.56) RAB9ALMNAMAPTNPC1HSD17B10
SCHEMBL4835901 0.84 RAB9A (0.42) RAB9ALMNAMAPTNPC1HSD17B10
SCHEMBL4835055 0.83 RAB9A (0.49) RAB9AMAPTNPC1HSD17B10KDM4E
SCHEMBL6109563 0.82 RAB9A (0.41) RAB9ALMNAMAPTNPC1KDM4E
SCHEMBL4842544 0.82 GALR3 (0.36) LMNAMAPTHSD17B10KDM4EHPGD
SCHEMBL4835831 0.81 TK1 (0.33) LMNAMAPK1TSHRMEN1KMT2A

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 RAB9A 3709/4885LMNA 975/4885MAPT 4141/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885LMNA 683/4885MAPT 4291/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885LMNA 683/4885MAPT 4291/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL RAB9A 3709/4885LMNA 720/4885MAPT 4396/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885LMNA 683/4885MAPT 4291/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 RAB9A 3805/4885LMNA 553/4885MAPT 4051/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR RAB9A 3626/4885LMNA 771/4885MAPT 4384/4885

“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.