SCHEMBL2165535

SCHEMBL2165535

O=[N+]([O-])c1cc(O)c2ccc3cccc4ccc1c2c34

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CASP6 P55212 1/20 0.45
ALDH1A1 P00352 4/20 0.43
GPR35 Q9HC97 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
CTSB P07858 2/20 0.41
CDK2 P24941 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 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
SCHEMBL3293306 0.88 HPRT1 (0.56) HPRT1KMT2AMEN1RAB9ANPC1
SCHEMBL7998423 0.84 CTSB (0.50) HPRT1KMT2AMEN1RAB9ANPC1
SCHEMBL28796982 0.83 HPRT1 (0.51) HPRT1KMT2AMEN1RAB9ANPC1
Pyrene SCHEMBL28292596 0.83 HPRT1 (0.51) HPRT1KMT2AMEN1RAB9ANPC1
SCHEMBL17644432 0.81 HPRT1 (0.49) HPRT1KMT2AMEN1RAB9ANPC1
SCHEMBL3817515 0.80 TDP1 (0.56) HPRT1KMT2AMEN1RAB9ANPC1
1-Nitropyrene SCHEMBL29450697 0.79 ALDH1A1 (0.57) HPRT1KMT2AMEN1RAB9ANPC1
1-Nitropyrene SCHEMBL339725 0.79 ALDH1A1 (0.57) HPRT1KMT2AMEN1RAB9ANPC1
SCHEMBL29440260 0.78 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL13736031 0.78 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114563502-A Method for synchronously and quantitatively determining concentrations of various aromatic compounds and metabolites in urine 广东工业大学 2022-05-31 CN claimed
US-7211414-B2 Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity VISIGEN BIOTECHNOLOGIES, INC. (US) 2007-05-01 US claimed
CN-114563502-A Method for synchronously and quantitatively determining concentrations of various aromatic compounds and metabolites in urine 广东工业大学 2022-05-31 CN disclosed
US-20180100191-A1 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR INHIBITING PYROPHOSPHOROLYSIS VISIGEN BIOTECHNOLOGIES, INC. 2018-04-12 US disclosed
US-9845500-B2 Enzymatic nucleic acid synthesis: compositions and methods for inhibiting pyrophosphorolysis Life Technologies Corporation (US) 2017-12-19 US disclosed
US-20160244822-A1 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR INHIBITING PYROPHOSPHOROLYSIS Life Technologies Corporation 2016-08-25 US disclosed
US-9243284-B2 Enzymatic nucleic acid synthesis: compositions and methods for inhibiting pyrophosphorolysis Life Technologies Corporation (US) 2016-01-26 US disclosed
US-20140127781-A1 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR INHIBITING PYROPHOSPHOROLYSIS Life Technologies Corporation (US) 2014-05-08 US disclosed
US-8648179-B2 Enzymatic nucleic acid synthesis: compositions and methods for inhibiting pyrophosphorolysis Life Technologies Corporation (US) 2014-02-11 US disclosed
US-20130102050-A1 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR INHIBITING PYROPHOSPHOROLYSIS Life Technologies Corporation (US) 2013-04-25 US disclosed
US-8314216-B2 Enzymatic nucleic acid synthesis: compositions and methods for inhibiting pyrophosphorolysis Life Technologies Corporation (US) 2012-11-20 US disclosed
US-20070172860-A1 Enzymatic nucleic acid synthesis: compositions and methods Life Technologies Corporation 2007-07-26 US disclosed
US-20070172869-A1 Enzymatic nucleic acid synthesis: methods for inhibiting pyrophosphorolysis during sequencing synthesis Life Technologies Corporation 2007-07-26 US disclosed
US-20070172819-A1 Enzymatic nucleic acid synthesis: compositions including pyrophosphorolysis inhibitors Life Technologies Corporation 2007-07-26 US disclosed
US-20070172859-A1 Enzymatic nucleic acid synthesis: methods for direct detection of tagged monomers Life Technologies Corporation 2007-07-26 US disclosed
US-7211414-B2 Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity VISIGEN BIOTECHNOLOGIES, INC. (US) 2007-05-01 US disclosed
EP-1354064-A2 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR ALTERING MONOMER INCORPORATION FIDELITY Visigen Biotechnologies, Inc. (US) 2003-10-22 EP disclosed
US-20030134807-A1 Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity Life Technologies Corporation 2003-07-17 US disclosed
WO-2002044425-A2 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR ALTERING MONOMER INCORPORATION FIDELITY VISIGEN BIOTECHNOLOGIES, INC. (US) 2002-06-06 WO disclosed
US-6399335-B1 MIXING POLYMERASE AND NUCLEOSIDE TRIPHOSPHATE HAVING A GAMMA PHOSPHATE PHOSPHOESTER-LINKED FUNCTIONAL GROUP, INCUBATING SO THAT POLYMERASE CATALYZES CLEAVAGE BETWEEN ALPHA AND BETA PHOSPHATES AND LIBERATES PYROPHOSPHATE WITH FUNCTIONAL GROUP ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2002-06-04 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 (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-20070172819-A1 Enzymatic nucleic acid synthesis: compositions including pyrophosphorolysis inhibitors RNGTT, PPA1, PNP HPRT1 182/4885KMT2A 2855/4885MEN1 3252/4885
US-20180100191-A1 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR INHIBITING PYROPHOSPHOROLYSIS RNGTT, PPA1, PNP HPRT1 175/4885KMT2A 3113/4885MEN1 3457/4885
US-20030134807-A1 Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity RNGTT, PNP, MTAP HPRT1 187/4885KMT2A 2227/4885MEN1 2409/4885

“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.