SCHEMBL14938102

SCHEMBL14938102

COc1ccc([N+](=O)[O-])c(CC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HTT P42858 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ TXNRD1 Q16881 1/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ AKR1C4 P17516 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MERTK Q12866 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL14782202 0.89 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL14782163 0.85 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3105068 0.83 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5051522 0.83 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL28978972 0.83 MEN1 (0.50) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL22134502 0.82 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1289600 0.81 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1856347 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8437108 0.81 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL30293228 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670523-B1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND THEIR USE IN METHODS FOR NUCLEIC ACID SEQUENCING AGILENT TECHNOLOGIES INC (US) 2021-08-11 — — EP disclosed
US-11001886-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing AGILENT TECHNOLOGIES, INC. (US) 2021-05-11 — — US disclosed
US-10697009-B2 Nucleotide analogs for sequencing IBIS BIOSCIENCES INC. (US) 2020-06-30 — — US disclosed
EP-2755984-B1 5-METHOXY. 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING AGILENT TECHNOLOGIES INC (US) 2020-02-12 — — EP disclosed
US-20190127790-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING AGILENT TECHNOLOGIES, INC. 2019-05-02 — — US disclosed
EP-2970366-B1 NUCLEOTIDE ANALOGS FOR SEQUENCING IBIS BIOSCIENCES INC (US) 2019-01-16 — — EP disclosed
US-10041115-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN, INC. (US) 2018-08-07 — — US disclosed
US-20170327886-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING LASERGEN, INC. (US) 2017-11-16 — — US disclosed
US-9689035-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN, INC. (US) 2017-06-27 — — US disclosed
US-20160369336-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING LASERGEN, INC. (US) 2016-12-22 — — US disclosed
US-20150176074-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING LASERGEN, INC. (US) 2015-06-25 — — US disclosed
US-8889860-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN, INC. (US) 2014-11-18 — — US disclosed
US-20130122489-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING AGILENT TECHNOLOGIES, INC. 2013-05-16 — — 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 (8 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-20150176074-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 KMT2A 1378/4885MEN1 3772/4885ALDH1A1 2244/4885
US-20190127790-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 KMT2A 1378/4885MEN1 3772/4885ALDH1A1 2244/4885
US-10697009-B2 Nucleotide analogs for sequencing RNGTT, POLRMT, NT5C3B KMT2A 1804/4885MEN1 1568/4885ALDH1A1 1312/4885
US-10041115-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing RNGTT, NT5C3B, NSUN2 KMT2A 1364/4885MEN1 3786/4885ALDH1A1 2163/4885
US-11001886-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing RNGTT, NT5C3B, NSUN2 KMT2A 1364/4885MEN1 3786/4885ALDH1A1 2163/4885
US-20170327886-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 KMT2A 1378/4885MEN1 3772/4885ALDH1A1 2244/4885
US-20160369336-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 KMT2A 1378/4885MEN1 3772/4885ALDH1A1 2244/4885
US-20130122489-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 KMT2A 1378/4885MEN1 3772/4885ALDH1A1 2244/4885

“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.

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