SCHEMBL14937681

SCHEMBL14937681

COc1cc(CC(C)(C)C)c([N+](=O)[O-])cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HTR1A P08908 1/20 0.38

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
SCHEMBL14782262 0.90 ALDH1A1 (0.42) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL25083003 0.88 ALDH1A1 (0.54) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL14782199 0.86 SMN1; SMN2 (0.41) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL6814613 0.77 ALDH1A1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2CYP3A4TDP1
SCHEMBL14782151 0.77 ALDH1A1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2CYP3A4TDP1
SCHEMBL31236322 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP3A4TDP1LMNA
SCHEMBL27982502 0.73 RAB9A (0.50) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL14782260 0.73 ALDH1A1 (0.53) ALDH1A1CYP2D6L3MBTL1CYP3A4TDP1
SCHEMBL15934397 0.73 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP3A4TDP1LMNA
SCHEMBL7141939 0.73 HTT (0.49) ALDH1A1L3MBTL1CYP3A4CYP2C19CYP1A2

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 11 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
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
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 (7 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 ALDH1A1 2244/4885CYP2D6 782/4885L3MBTL1 196/4885
US-20190127790-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 ALDH1A1 2244/4885CYP2D6 782/4885L3MBTL1 196/4885
US-10041115-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing RNGTT, NT5C3B, NSUN2 ALDH1A1 2163/4885CYP2D6 759/4885L3MBTL1 205/4885
US-11001886-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing RNGTT, NT5C3B, NSUN2 ALDH1A1 2163/4885CYP2D6 759/4885L3MBTL1 205/4885
US-20170327886-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 ALDH1A1 2244/4885CYP2D6 782/4885L3MBTL1 196/4885
US-20160369336-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 ALDH1A1 2244/4885CYP2D6 782/4885L3MBTL1 196/4885
US-20130122489-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 ALDH1A1 2244/4885CYP2D6 782/4885L3MBTL1 196/4885

“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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