SCHEMBL1964763

SCHEMBL1964763

CC(COC(=O)Cl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 3/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
USP2 O75604 1/20 0.41
HTR2A P28223 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27705639 0.84 MAPT (0.49) ALDH1A1ADRB2ADRB1ADRB3NPC1
SCHEMBL6830905 0.79 GPR35 (0.42) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL4876482 0.76 ALDH1A1 (0.49) ALDH1A1NPC1MAPTKDM4EKMT2A
SCHEMBL6554242 0.75 ALDH1A1 (0.53) ALDH1A1NPC1MAPTKDM4ELMNA
SCHEMBL9805956 0.75 KCNJ1 (0.49) ALDH1A1NPC1MAPTKDM4ELMNA
SCHEMBL1966503 0.75 KCNJ1 (0.44) ALDH1A1ADRB2ADRB1ADRB3NPC1
SCHEMBL6233559 0.75 KCNJ1 (0.44) ALDH1A1ADRB2ADRB1ADRB3NPC1
SCHEMBL5692343 0.75 MAPT (0.66) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL5692340 0.75 MAPT (0.66) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL5690769 0.74 FFAR1 (0.53) ALDH1A1NPC1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287313-B2 RNA monomers containing 0-acetal levulinyl ester groups and their use in RNA microarrays THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-05-14 US disclosed
US-20160340382-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-11-24 US disclosed
US-9249175-B2 RNA monomers containing O-acetal levulinyl ester groups and their use in RNA microarrays THE ROYAL INSTITUTE FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-02-02 US disclosed
US-20160003836-A1 PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-01-07 US disclosed
EP-2956774-A1 PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION Imabiotech (FR) 2015-12-23 EP disclosed
WO-2014125112-A1 PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION IMABIOTECH (FR) 2014-08-21 WO disclosed
EP-2767832-A1 Photo or chemolabile conjugates for molecules detection Imabiotech (FR) 2014-08-20 EP disclosed
US-20120178638-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-12 US disclosed
EP-2334692-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS The Royal Institution for the Advancement of Learning / McGill University (CA) 2011-06-22 EP disclosed
WO-2010025566-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2010-03-11 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 (3 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-10287313-B2 RNA monomers containing 0-acetal levulinyl ester groups and their use in RNA microarrays EFTUD2, RNMT, NSUN2 ALDH1A1 199/4885ADRB2 4691/4885ADRB1 4518/4885
US-20160340382-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS EFTUD2, RNMT, RNGTT ALDH1A1 212/4885ADRB2 4733/4885ADRB1 4579/4885
US-20120178638-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS EFTUD2, RNMT, RNGTT ALDH1A1 212/4885ADRB2 4733/4885ADRB1 4579/4885

“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.