SCHEMBL2783136

SCHEMBL2783136

O=[C]c1ncccc1C(=O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
BDKRB1 P46663 1/20 0.42
GSK3B P49841 1/20 0.42
CTNNB1 P35222 3/20 0.42
WNT3A P56704 3/20 0.42
HSD17B14 Q9BPX1 1/20 0.41
GRM4 Q14833 1/20 0.41
MAPT P10636 1/20 0.41
AGTR1 P30556 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL4078561 0.81 KMT2A (0.49) KMT2AL3MBTL1LMNANAPRTALDH1A1
SCHEMBL10861570 0.80 KMT2A (0.51) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL4959969 0.79 LMNA (0.59) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL8764829 0.79 CTNNB1 (0.44) KMT2AL3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL8833877 0.77 KDM4E (0.59) KMT2AL3MBTL1LMNANAPRTALDH1A1
SCHEMBL2745986 0.77 KMT2A (0.47) KMT2AL3MBTL1LMNANAPRTALDH1A1
SCHEMBL16211860 0.76 NAPRT (0.59) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL12143400 0.76 KMT2A (0.55) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL87791 0.75 KMT2A (0.75) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL31369148 0.75 KMT2A (0.75) KMT2ACES2CES1L3MBTL1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597327-B2 Synthesis of (R)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150290187-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE Progenics Pharmaceuticals., Inc. 2015-10-15 US disclosed
US-8343992-B2 Synthesis of R-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20100311781-A1 SYNTHESIS OF R-N-METHYLNALTREXONE PROGENICS PHARMACEUTICALS, INC. 2010-12-09 US disclosed
US-6440933-B1 PEPTIDE DERIVATIVES WHICH ARE DIHYDROPYRIDINE-PYRIDINIUM SALT-TYPE REDOX TARGETOR MOIETY, A BULKY LIPOPHILIC FUNCTION AND AN AMINO ACID/DIPEPTIDE/TRIPEPTIDE SPACER; GROWTH FACTOR INHIBITOR, ESPECIALLY SOMATOSTATIN ANALOGS, RETINA UNIVERSITY OF FLORIDA 2002-08-27 US disclosed
US-6214316-B1 COMPRISING CYCLIC PEPTIDE DERIVATIVES; KIT FOR PREPARING A RADIOPHARMACEUTICAL PREPARATION, COMPRISING A SEALED VIAL CONTAINING A PREDETERMINED QUANTITY OF THE PEPTIDE DIATIDE, INC. 2001-04-10 US disclosed
US-6022857-A Radiolabeled compounds for thrombus imaging DIATIDE, INC. (US) 2000-02-08 US disclosed
US-5849260-A Technetium-99M labeled peptides for thrombus imaging DIATIDE, INC. (US) 1998-12-15 US disclosed
US-5776428-A Technetium-99m labeled peptides for imaging DIATIDE, INC. (US) 1998-07-07 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 (2 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-20100311781-A1 SYNTHESIS OF R-N-METHYLNALTREXONE OPRM1, OPRK1, OPRL1 KMT2A 411/4885CES2 1437/4885CES1 2203/4885
US-20150290187-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 KMT2A 526/4885CES2 1194/4885CES1 2114/4885

“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.