SCHEMBL366240

SCHEMBL366240

O=[N+]([O-])n1[c]cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 1/20 0.33
RXRA P19793 1/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MBD2 Q9UBB5 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
TSHR P16473 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3849038 0.69 CA12 (0.34) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30522768 0.65 CDK4 (0.43) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL4080987 0.65 CDK4 (0.43) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL650735 0.64 NOS2 (0.34) ALDH1A1CYP3A4MAPTCYP1A2CYP2C9
SCHEMBL127255 0.64 DAO (0.35) ALDH1A1MAPTKMT2ARAB9ATSHR
SCHEMBL2073401 0.64 CDK4 (0.32) ALDH1A1MAPT
SCHEMBL137023 0.64 CA12 (0.39) ALDH1A1MAPTMEN1KMT2A
SCHEMBL2073630 0.64 CDK4 (0.32) ALDH1A1MAPTKMT2ANOS2
SCHEMBL651376 0.64 ALDH1A1 (0.37) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7300677 0.64 CYP2A6 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US claimed
EP-1913011-B1 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS INC (US) 2016-11-02 EP claimed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US claimed
EP-3052627-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE Novartis AG (CH) 2016-08-10 EP claimed
WO-2015051366-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO claimed
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO claimed
US-20110207609-A1 Piperazine Compounds With Herbicidal Effect BASF SE (DE) 2011-08-25 US claimed
EP-2344518-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL EFFECT BASF SE (DE) 2011-07-20 EP claimed
US-7772387-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2010-08-10 US claimed
WO-2010049369-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL EFFECT BASF SE (DE) 2010-05-06 WO claimed
US-20080213891-A1 RNAi Agents Comprising Universal Nucleobases ALNYLAM PHARMACEUTICALS, INC. (US) 2008-09-04 US claimed
EP-1951737-A2 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION Alnylam Pharmaceuticals Inc. (US) 2008-08-06 EP claimed
EP-1913011-A2 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE Alnylam Pharmaceuticals Inc. (US) 2008-04-23 EP claimed
EP-1828215-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE Alnylam Pharmaceuticals Inc. (US) 2007-09-05 EP claimed
US-20070197460-A1 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION ALNYLAM PHARMACEUTICALS, INC. (US) 2007-08-23 US claimed
WO-2007053696-A2 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION ALNYLAM PHARMACEUTICALS, INC. (US) 2007-05-10 WO claimed
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 US claimed
WO-2006112872-A2 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
WO-2006093526-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-09-08 WO claimed
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2006-02-16 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080213891-A1 RNAi Agents Comprising Universal Nucleobases NOP2, NOP58, FBL ALDH1A1 1539/4885CYP3A4 4505/4885RXRA 2696/4885
US-20070197460-A1 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION SNRPE, EIF2AK2, AGO2 ALDH1A1 4078/4885CYP3A4 4767/4885RXRA 3411/4885
US-20110207609-A1 Piperazine Compounds With Herbicidal Effect CAT, DDT, CIP2A ALDH1A1 72/4885CYP3A4 726/4885RXRA 2620/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT ALDH1A1 2096/4885CYP3A4 3893/4885RXRA 317/4885
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase NT5C3B, DERA, DUT ALDH1A1 1623/4885CYP3A4 4661/4885RXRA 1268/4885

“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.