SCHEMBL550516

SCHEMBL550516

CCOC(=O)c1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 6/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 1/20 0.51
CACNA1F O60840 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
AR P10275 1/20 0.49
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL7723906 0.89 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL426382 0.88 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL17979895 0.87 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL7665374 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL3299225 0.86 CA12 (0.62) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL2616927 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL14114749 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2AMAPTGAA
SCHEMBL4420346 0.85 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL7790042 0.85 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL17737229 0.85 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9638690-B2 Compounds and compositions for use as alkylating agent sensors and methods of use thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-05-02 US disclosed
EP-2576566-B1 THIENO(2,3B)PYRAZINE COMPOUNDS AS B-RAF INHIBITORS MERCK SHARP & DOHME (NL) 2015-10-28 EP disclosed
EP-2576566-B1 THIENO(2,3B)PYRAZINE COMPOUNDS AS B-RAF INHIBITORS MERCK SHARP & DOHME (NL) 2015-10-28 EP disclosed
US-8669256-B2 Substituted thieno[2,3-b]pyrazine compounds as modulators of B-Raf kinase activity MERCK SHARP & DOHME B.V. (NL) 2014-03-11 US disclosed
US-8669256-B2 Substituted thieno[2,3-b]pyrazine compounds as modulators of B-Raf kinase activity MERCK SHARP & DOHME B.V. (NL) 2014-03-11 US disclosed
EP-2215074-B1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES US HEALTH (US) 2014-02-19 EP disclosed
EP-2215074-B1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES US HEALTH (US) 2014-02-19 EP disclosed
EP-2576566-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS MSD Oss B.V. (NL) 2013-04-10 EP disclosed
US-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2013-03-28 US disclosed
US-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2013-03-28 US disclosed
EP-2027088-A2 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The Government of the United States of America, as repres. by the Secretary of Health and Human Services, Nat. Inst. of Health (US) 2009-02-25 EP disclosed
US-7439242-B2 PPARγ modulators AMGEN INC. (US) 2008-10-21 US disclosed
WO-2007109211-A2 1-OXO-ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-09-27 WO disclosed
WO-2007109211-A2 1-OXO-ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-09-27 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
US-6583144-B2 Piperazine substituted isoquinoline, 1,3-benzoxazine, or 1,3-benzothiazine derivatives; inhibitors against the biosynthesis of triglycerides and secretion of apolipoprotein b and treatment of hyperlipidemia MEIJI SEIKA KAISHA, LTD. (JP) 2003-06-24 US disclosed
US-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same OHKURA NAOTO (JP) 2002-10-24 US disclosed
US-6103720-A ENZYME INHIBITORS; ANTIICHEMIC AND -TUMOR AGENTS; STROKES; ALZEIMER'S DISEASE BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed
EP-0999208-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND HYPERLIPEMIA REMEDY CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2000-05-10 EP disclosed
CN-1245486-A Ketobenzamides as calpain inhibitors BASF AG (DE) 2000-02-23 CN 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 (2 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-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same APOB, PNLIP, NR1H2 SMN1; SMN2 2065/4885ALDH1A1 3399/4885KMT2A 2537/4885
US-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS BRAF, RAF1, ARAF SMN1; SMN2 4418/4885ALDH1A1 1053/4885KMT2A 1423/4885

“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.