SCHEMBL4844713

SCHEMBL4844713

O=C(Nc1ccn(CC(=O)N2CCN(S(=O)(=O)c3nc4ccccc4s3)C(=O)C2)c(=O)n1)OCc1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 8/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
LMNA P02545 6/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ABL1 P00519 2/20 0.36
RIN1 Q13671 2/20 0.36
MAPT P10636 5/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 3/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35

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
SCHEMBL4839792 0.89 RAB9A (0.56) RAB9AALDH1A1KMT2AMEN1LMNA
SCHEMBL4844727 0.89 MEN1 (0.39) RAB9AALDH1A1KMT2AMEN1LMNA
SCHEMBL4839938 0.88 ABL1 (0.47) RAB9AALDH1A1KMT2AMEN1KDM4E
SCHEMBL4835055 0.87 RAB9A (0.49) RAB9AALDH1A1KMT2AMEN1KDM4E
SCHEMBL4845126 0.84 KMT2A (0.35) RAB9AALDH1A1KMT2AMEN1LMNA
SCHEMBL4843290 0.83 KMT2A (0.36) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL4835901 0.82 RAB9A (0.42) RAB9AALDH1A1KMT2AMEN1LMNA
SCHEMBL4835671 0.80 RAB9A (0.42) RAB9AALDH1A1KMT2AMEN1LMNA
SCHEMBL4864634 0.78 RAB9A (0.40) RAB9AALDH1A1KMT2AMEN1LMNA
SCHEMBL4838083 0.78 ABL1 (0.38) RAB9AALDH1A1KMT2AMEN1LMNA

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 3709/4885ALDH1A1 3058/4885KMT2A 2563/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885ALDH1A1 3966/4885KMT2A 4022/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885ALDH1A1 3966/4885KMT2A 4022/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL RAB9A 3709/4885ALDH1A1 4151/4885KMT2A 4071/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885ALDH1A1 3966/4885KMT2A 4022/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 RAB9A 3805/4885ALDH1A1 3448/4885KMT2A 3823/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR RAB9A 3626/4885ALDH1A1 4029/4885KMT2A 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.