SCHEMBL2045679

SCHEMBL2045679

O=C(O)C(=O)c1cccnc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.71
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DHODH Q02127 3/20 0.42
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
MYC P01106 1/20 0.39
SLC18A3 Q16572 1/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL19280924 0.83 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL29574424 0.83 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL229352 0.83 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL4407488 0.82 NAPRT (0.96) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL27612856 0.81 NAPRT (0.73) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL28705950 0.79 NAPRT (0.70) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL31078773 0.78 NAPRT (0.68) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL447126 0.78 NAPRT (0.68) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL429687 0.78 NAPRT (0.68) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL1811012 0.78 NAPRT (0.68) NAPRTKDM4ETDP1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022057787-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海有机化学研究所 2022-03-24 WO disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
US-20200216836-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2020-07-09 US disclosed
US-20190330618-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2019-10-31 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-10287576-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2019-05-14 US disclosed
US-9574189-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2017-02-21 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
EP-2341140-A1 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-07-06 EP disclosed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP disclosed
EP-1957644-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2010-12-01 EP disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
EP-1957644-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2008-08-20 EP disclosed
WO-2007062664-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2007-06-07 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 (1 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-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES RNGTT, DUT, EMG1 NAPRT 147/4885KDM4E 2912/4885TDP1 277/4885

“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.