SCHEMBL3133577

SCHEMBL3133577

O=C(O)Cn1ccc(NC(=O)OCc2ccc3c(c2)OCO3)nc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
CYP3A4 P08684 3/20 0.47
NAAA Q02083 1/20 0.47
ABL1 P00519 2/20 0.46
RIN1 Q13671 2/20 0.46
EDNRA P25101 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
HTT P42858 3/20 0.39
ENPP2 Q13822 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3134587 0.89 KMT2A (0.47) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL13394864 0.83 RAB9A (0.49) RAB9AMAPTTSHRABL1RIN1
SCHEMBL3133587 0.82 NPC1 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2153078 0.81 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL3130276 0.80 ABL1 (0.64) ALDH1A1RAB9ASMN1; SMN2MAPTABL1
SCHEMBL3136443 0.79 ABL1 (0.53) ALDH1A1RAB9ANPC1MAPTATM
SCHEMBL3130187 0.75 NAAA (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL4844713 0.74 RAB9A (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3130066 0.74 NPC1 (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3134598 0.73 KMT2A (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2TP53

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174936-B1 PNA monomer and precursor PANAGENE INC (KR) 2013-09-04 EP disclosed
EP-2174936-B1 PNA monomer and precursor PANAGENE INC (KR) 2013-09-04 EP disclosed
EP-2174936-A1 PNA monomer and precursor Panagene, Inc. (KR) 2010-04-14 EP disclosed
EP-1501812-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-12-30 EP disclosed
EP-1501812-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-12-30 EP disclosed
EP-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 EP disclosed
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-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-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-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-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-20050026930-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-02-03 US disclosed
EP-1501812-A1 PNA MONOMER AND PRECURSOR Panagene, Inc. (KR) 2005-02-02 EP disclosed
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 US disclosed
WO-2003091231-A1 PNA MONOMER AND PRECURSOR PANAGENE, INC. (US) 2003-11-06 WO 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-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL ALDH1A1 3966/4885RAB9A 3554/4885NPC1 2931/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL ALDH1A1 3966/4885RAB9A 3554/4885NPC1 2931/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL ALDH1A1 4151/4885RAB9A 3709/4885NPC1 3298/4885
US-20050026930-A1 PNA monomer and precursor RNGTT, POLL, NSUN3 ALDH1A1 3450/4885RAB9A 3664/4885NPC1 1888/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL ALDH1A1 3966/4885RAB9A 3554/4885NPC1 2931/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 ALDH1A1 3448/4885RAB9A 3805/4885NPC1 3187/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR ALDH1A1 4029/4885RAB9A 3626/4885NPC1 2533/4885

“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.