Sugi Predict

Sugi Predict / Compounds / SCHEMBL4844727

SCHEMBL4844727

SCHEMBL4844727

O=C(Nc1ccn(CC(=O)N2CCN(S(=O)(=O)c3nc4ccccc4s3)C(=O)C2)c(=O)n1)OC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.39
▸ KMT2A Q03164 7/20 0.39
▸ LMNA P02545 7/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ MAPT P10636 7/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ALDH1A1 P00352 9/20 0.35
▸ HPGD P15428 4/20 0.35
▸ HTT P42858 3/20 0.34

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
SCHEMBL4844713 0.89 RAB9A (0.45) MEN1KMT2ALMNAKDM4ERAB9A
SCHEMBL4845137 0.84 KMT2A (0.37) MEN1KMT2ALMNAKDM4ERAB9A
SCHEMBL4839792 0.81 RAB9A (0.56) MEN1KMT2ALMNAKDM4ERAB9A
SCHEMBL4835671 0.80 RAB9A (0.42) MEN1KMT2ALMNAKDM4ERAB9A
SCHEMBL4835901 0.79 RAB9A (0.42) MEN1KMT2ALMNAKDM4ERAB9A
SCHEMBL4864634 0.78 RAB9A (0.40) MEN1KMT2ALMNAKDM4ERAB9A
SCHEMBL4835055 0.78 RAB9A (0.49) MEN1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL4838098 0.78 KDM4E (0.37) MEN1KMT2ALMNAKDM4ERAB9A
SCHEMBL4839938 0.77 ABL1 (0.47) MEN1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL4842797 0.74 RAB9A (0.39) KMT2ALMNAKDM4ERAB9ASMN1; 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 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 MEN1 4207/4885KMT2A 2563/4885LMNA 975/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL MEN1 3369/4885KMT2A 4022/4885LMNA 683/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL MEN1 3369/4885KMT2A 4022/4885LMNA 683/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL MEN1 3281/4885KMT2A 4071/4885LMNA 720/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL MEN1 3369/4885KMT2A 4022/4885LMNA 683/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 MEN1 3505/4885KMT2A 3823/4885LMNA 553/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR MEN1 4168/4885KMT2A 4022/4885LMNA 771/4885

“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.