Sugi Predict

Sugi Predict / Compounds / SCHEMBL601390

SCHEMBL601390

SCHEMBL601390

NC(=O)C(Nc1ccccc1)(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KCNN4 O15554 6/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL28071047 0.75 CTSD (0.36) MAPTKMT2AGAAL3MBTL1ALDH1A1
SCHEMBL3120886 0.73 L3MBTL1 (0.45) MAPTKMT2AGAAL3MBTL1ALDH1A1
SCHEMBL27773272 0.72 MAPT (0.48) MAPTKMT2AGAAMEN1KCNN4
SCHEMBL5025929 0.69 SMN1; SMN2 (0.41) MAPTKMT2AGAAL3MBTL1ALDH1A1
SCHEMBL6642017 0.69 MAPT (0.55) MAPTKMT2AGAAKCNN4CYP1A2
SCHEMBL28263085 0.69 MAPT (0.46) MAPTKMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL1305452 0.69 MAPT (0.55) MAPTKMT2AALDH1A1LMNAKCNN4
SCHEMBL6465771 0.69 MAPT (0.37) MAPTKMT2AALDH1A1MEN1KCNN4
SCHEMBL3076892 0.66 MAPT (0.50) MAPTKMT2AGAAALDH1A1LMNA
Nitroanilide SCHEMBL27459781 0.66 ALDH1A1 (0.44) MAPTKMT2AGAAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9861652-B2 2′ Fluoronucleosides EMORY UNIVERSITY (US) 2018-01-09 — — US disclosed
US-9732110-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-08-15 — — US disclosed
US-9675632-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 — — US disclosed
US-20160158266-A1 2' FLUORONUCLEOSIDES EMORY UNIVERSITY 2016-06-09 — — US disclosed
US-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-06-09 — — US disclosed
WO-2016033164-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2016-03-03 — — WO disclosed
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-03-03 — — US disclosed
US-9180138-B2 2′-fluoronucleosides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-11-10 — — US disclosed
US-9085599-B2 2′allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-07-21 — — US disclosed
US-8895531-B2 2′-fluoronucleoside phosphonates as antiviral agents RFS PHARMA LLC (US) 2014-11-25 — — US disclosed
US-6348587-B1 PURINE OR PYRIMIDINE BASE DERIVATIVES; ANTICANCER, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS; TREATING HIV AND HEPATITIS EMORY UNIVERSITY 2002-02-19 — — US disclosed
EP-1124565-A1 AZIDO DERIVATIVES OF BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HIV INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2001-08-22 — — EP disclosed
US-6197777-B1 A 1,3-OXASELENOLANE NUCLEOSIDE; VIRICIDE EMORY UNIVERSITY 2001-03-06 — — US disclosed
EP-1058686-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 2000-12-13 — — EP disclosed
US-6071922-A PYRIMIDINE-BASE NUCLEOSIDES; VIRICIDES; HIV; HEPATITIS B VIRUS; AIDS-RELATED COMPLEX; IMMUNODEFICIENCY VIRUS IN ANIMALS AND HUMANS; ANTIPROLIFERATIVE AGENTS EMORY UNIVERSITY (US) 2000-06-06 — — US disclosed
WO-2000025799-A1 β-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HIV INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-05-11 — — WO disclosed
EP-0970078-A1 SYNTHESIS, ANTI-HUMAN IMMUNODEFICIENCY VIRUS AND ANTI-HEPATITIS B VIRUS ACTIVITIES OF 1,3-OXASELENOLANE NUCLEOSIDES EMORY UNIVERSITY (US) 2000-01-12 — — EP disclosed
WO-1999043691-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 1999-09-02 — — WO disclosed
WO-1998041522-A9 SYNTHESIS, ANTI-HUMAN IMMUNODEFICIENCY VIRUS AND ANTI-HEPATITIS B VIRUS ACTIVITIES OF 1,3-OXASELENOLANE NUCLEOSIDES — 1999-03-04 — — WO disclosed
WO-1998041522-A1 SYNTHESIS, ANTI-HUMAN IMMUNODEFICIENCY VIRUS AND ANTI-HEPATITIS B VIRUS ACTIVITIES OF 1,3-OXASELENOLANE NUCLEOSIDES EMORY UNIVERSITY (US) 1998-09-24 — — 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 (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-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 MAPT 3722/4885KMT2A 2942/4885GAA 502/4885
US-20160158266-A1 2' FLUORONUCLEOSIDES PNP, BCL3, NPC1 MAPT 4745/4885KMT2A 3178/4885GAA 2514/4885
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 MAPT 3722/4885KMT2A 2942/4885GAA 502/4885

“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.