SCHEMBL20006074

SCHEMBL20006074

O=NC1(N=O)CN(C(=O)CBr)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18363119 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL22015932 0.73 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL15335166 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL25878496 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15334892 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL22686382 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL11581015 0.68 KDM4E (0.42) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL8149192 0.68 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1USP2LMNA
Nibrozetone SCHEMBL2249018 0.67 NLRP3 (0.47) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL9918122 0.64 APEX1 (0.46) ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11660286-B2 Methods and compositions comprising a nitrite-reductase promoter for treatment of medical disorders and preservation of blood products EPICENTRX, INC. (US) 2023-05-30 US disclosed
US-11160784-B1 Treatment of brain metastases using organonitro compound combination therapy EPICENTRX, INC. (US) 2021-11-02 US disclosed
US-20200375982-A1 TREATMENT OF GLIOMAS USING ORGANONITRO COMPOUND COMBINATION THERAPY EPICENTRX INC (US) 2020-12-03 US disclosed
US-10543208-B2 Treatment of gliomas using organonitro compound combination therapy EPICENTRX, INC. (US) 2020-01-28 US disclosed
US-20200022952-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS EPICENTRX, INC. 2020-01-23 US disclosed
US-20190125742-A1 TREATMENT OF GLIOMAS USING ORGANONITRO COMPOUND COMBINATION THERAPY EPICENTRX, INC. 2019-05-02 US disclosed
US-9987270-B1 Treatment of gliomas using organonitro compound combination therapy EPICENTRIX, INC. (US) 2018-06-05 US disclosed
US-20180085346-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF Northrop Grumman Innovation Systems, Inc. 2018-03-29 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 (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-11660286-B2 Methods and compositions comprising a nitrite-reductase promoter for treatment of medical disorders and preservation of blood products HBB, HBG2, HBZ ALDH1A1 1464/4885KDM4E 645/4885MEN1 3834/4885
US-20190125742-A1 TREATMENT OF GLIOMAS USING ORGANONITRO COMPOUND COMBINATION THERAPY AQP4, CRYZ, CA5A ALDH1A1 878/4885KDM4E 1697/4885MEN1 998/4885
US-20200375982-A1 TREATMENT OF GLIOMAS USING ORGANONITRO COMPOUND COMBINATION THERAPY AQP4, CRYZ, CA5A ALDH1A1 878/4885KDM4E 1697/4885MEN1 998/4885
US-20180085346-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 ALDH1A1 1432/4885KDM4E 2028/4885MEN1 1992/4885
US-20200022952-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS HBB, HBG2, HBZ ALDH1A1 1464/4885KDM4E 645/4885MEN1 3834/4885
US-10543208-B2 Treatment of gliomas using organonitro compound combination therapy AQP4, CRYZ, CA5A ALDH1A1 878/4885KDM4E 1697/4885MEN1 998/4885
US-11160784-B1 Treatment of brain metastases using organonitro compound combination therapy XPO5, CA5A, XPO1 ALDH1A1 1580/4885KDM4E 2149/4885MEN1 245/4885

“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.