SCHEMBL286033

SCHEMBL286033

O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2cccc(O)c2O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
MAPT P10636 9/20 0.48
GAA P10253 4/20 0.48
MAPK1 P28482 6/20 0.47
TDP1 Q9NUW8 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.47
CES2 O00748 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KCNMA1 Q12791 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ALPI P09923 1/20 0.44

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
SCHEMBL4988364 0.92 MAPT (0.53) KMT2AMEN1CTDSP1MAPTGAA
SCHEMBL8592402 0.87 KMT2A (0.54) KMT2AMEN1CTDSP1MAPTGAA
SCHEMBL4769269 0.87 KMT2A (0.50) KMT2AMEN1CTDSP1MAPTGAA
SCHEMBL4132271 0.86 KMT2A (0.60) KMT2AMEN1CTDSP1MAPTGAA
SCHEMBL8591919 0.85 MAPT (0.57) KMT2AMEN1CTDSP1MAPTGAA
SCHEMBL4109631 0.83 KMT2A (0.66) KMT2AMEN1MAPTGAAMAPK1
SCHEMBL8591021 0.80 KMT2A (0.62) KMT2AMEN1MAPTGAAMAPK1
SCHEMBL180229 0.78 KMT2A (0.75) KMT2AMEN1CTDSP1MAPTGAA
SCHEMBL180228 0.78 KMT2A (0.75) KMT2AMEN1CTDSP1MAPTGAA
Sivifene SCHEMBL18821 0.78 KMT2A (0.72) KMT2AMEN1MAPTGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840740-B2 Method for the diagnosis, prognosis and treatment of prostate cancer metastasis INBIOMOTION S.L. (ES) 2023-12-12 US claimed
WO-2024123585-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-13 WO disclosed
WO-2024091894-A1 PNU ANTHRACYCLINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-05-02 WO disclosed
US-11892453-B2 Method for the diagnosis, prognosis and treatment of prostate cancer metastasis INBIOMOTION S.L. (ES) 2024-02-06 US disclosed
US-11840740-B2 Method for the diagnosis, prognosis and treatment of prostate cancer metastasis INBIOMOTION S.L. (ES) 2023-12-12 US disclosed
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO disclosed
EP-4161522-A1 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF CELLULAR PROLIFERATIVE DISORDERS Merck Sharp & Dohme LLC (US) 2023-04-12 EP disclosed
US-11596642-B2 Therapeutic treatment of breast cancer based on c-MAF status INBIOMOTION S.L. (ES) 2023-03-07 US disclosed
EP-4076452-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed
US-20210388452-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF PROSTATE CANCER METASTASIS INBIOMOTION S.L. (ES) 2021-12-16 US disclosed
EP-2310384-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-04-20 EP disclosed
WO-2010127754-A1 3-([1,2,3]TRIAZOLE-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATES MERCK PATENT GMBH (DE) 2010-11-11 WO disclosed
EP-2247185-A2 TYROSINE KINASE INHIBITORS Tiger Pharmatech (US) 2010-11-10 EP disclosed
WO-2010114780-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
WO-2010005841-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-14 WO disclosed
WO-2009111354-A2 TYROSINE KINASE INHIBITORS TIGER PHARMATECH (US) 2009-09-11 WO disclosed
EP-1888053-A2 CONJUGATED AROMATIC COMPOUNDS FOR DIAGNOSIS AND THERAPY Dekk-Tec, Inc. (US) 2008-02-20 EP disclosed
WO-2006130552-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006119284-A2 CONJUGATED AROMATIC COMPOUNDS FOR DIAGNOSIS AND THERAPY DEKK-TEC, INC. (US) 2006-11-09 WO disclosed
WO-2005118584-A2 SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER AXYS PHARMACEUTICALS, INC. (US) 2005-12-15 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-11892453-B2 Method for the diagnosis, prognosis and treatment of prostate cancer metastasis MAFG, MAFK, ACP3 KMT2A 975/4885MEN1 479/4885CTDSP1 918/4885
US-20210388452-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF PROSTATE CANCER METASTASIS MAFG, ACP3, MAFK KMT2A 986/4885MEN1 484/4885CTDSP1 1035/4885
US-11840740-B2 Method for the diagnosis, prognosis and treatment of prostate cancer metastasis MAFG, ACP3, MAFK KMT2A 986/4885MEN1 484/4885CTDSP1 1035/4885

“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.