SCHEMBL1126505

SCHEMBL1126505

CCOC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 2/20 0.67
POLB P06746 2/20 0.64
MAPT P10636 4/20 0.63
PKM P14618 1/20 0.60
LMNA P02545 1/20 0.57
MEN1 O00255 2/20 0.56
AKR1B1 P15121 1/20 0.54
CYP19A1 P11511 2/20 0.52
HPGD P15428 1/20 0.52
NAMPT P43490 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL5373161 0.85 GAA (0.68) KMT2AALDH1A1POLBMAPTPKM
SCHEMBL11408843 0.85 MAPT (0.83) ALDH1A1POLBMAPTCYP19A1HPGD
SCHEMBL11574390 0.85 KMT2A (0.63) KMT2AALDH1A1POLBMAPTPKM
SCHEMBL2071222 0.84 KMT2A (0.63) KMT2AALDH1A1POLBMAPTPKM
SCHEMBL4579095 0.83 KMT2A (0.66) KMT2AALDH1A1POLBMAPTPKM
Acetic Acid SCHEMBL8132820 0.81 MAPT (0.59) KMT2AALDH1A1POLBMAPTPKM
SCHEMBL10631099 0.81 KMT2A (0.66) KMT2AALDH1A1POLBMAPTPKM
SCHEMBL15878977 0.81 KMT2A (0.58) KMT2AALDH1A1MAPTPKMLMNA
SCHEMBL10557875 0.80 MAPT (0.75) ALDH1A1POLBMAPTCYP19A1HPGD
SCHEMBL11608031 0.80 MAPT (0.75) ALDH1A1POLBMAPTCYP19A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
US-4160100-A OXAMIC ACID DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1979-07-03 US disclosed
US-4154961-A Oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1979-05-15 US disclosed
US-4137325-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-30 US disclosed
US-4099007-A N,N-SUBSTITUTED 2,4,5-TRIKETOIMIDAZOLIDINES AND A PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1978-07-04 US disclosed
US-4069343-A OXAMIC ACID DERIVATIVES FOR THE PREVENTION OF IMMEDIATE TYPE HYPERSENSITIVITY REACTIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-01-17 US disclosed
US-4054657-A Pyrimidinyl oxamic acids and esters, and compositions and methods for the suppression of allergic manifestations AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4054666-A Compositions and methods of treating immediate hypersensitivity reactions with thiazolyl oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4054661-A Pyridyl oxamic acid derivatives and use in the prevention of allergic reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4036837-A 2 Alkoxyoxamoyl-pyrazines AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-19 US disclosed
US-3966965-A Oxamic acid derivatives for the prevention of immediate type hypersensitivity reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1976-06-29 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 (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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KMT2A 3996/4885ALDH1A1 219/4885POLB 3827/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KMT2A 3996/4885ALDH1A1 219/4885POLB 3827/4885
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 KMT2A 3693/4885ALDH1A1 2813/4885POLB 4825/4885

“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.