SCHEMBL4835901

SCHEMBL4835901

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.35
ALDH1A1 P00352 7/20 0.34
NPC1 O15118 5/20 0.34
CYP1A2 P05177 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
STAT1 P42224 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HSD17B10 Q99714 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
MAPT P10636 5/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 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
SCHEMBL4839792 0.88 RAB9A (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1HSD17B10
SCHEMBL4835055 0.85 RAB9A (0.49) RAB9ASMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL4835671 0.84 RAB9A (0.42) RAB9ASMN1; SMN2ALDH1A1NPC1HSD17B10
SCHEMBL4839938 0.84 ABL1 (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1HSD17B10
SCHEMBL4864634 0.83 RAB9A (0.40) RAB9ASMN1; SMN2ALDH1A1NPC1HSD17B10
SCHEMBL4838348 0.82 GALR3 (0.36) RAB9ASMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL4844713 0.82 RAB9A (0.45) RAB9ASMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL4835656 0.81 TSHR (0.35) RAB9ASMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL4844727 0.79 MEN1 (0.39) RAB9ASMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL4842797 0.77 RAB9A (0.39) RAB9ASMN1; SMN2ALDH1A1KDM4EABL1

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 3709/4885SMN1; SMN2 1591/4885ALDH1A1 3058/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885SMN1; SMN2 1665/4885ALDH1A1 3966/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885SMN1; SMN2 1665/4885ALDH1A1 3966/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL RAB9A 3709/4885SMN1; SMN2 1232/4885ALDH1A1 4151/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885SMN1; SMN2 1665/4885ALDH1A1 3966/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 RAB9A 3805/4885SMN1; SMN2 1887/4885ALDH1A1 3448/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR RAB9A 3626/4885SMN1; SMN2 1917/4885ALDH1A1 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.