SCHEMBL5313447

SCHEMBL5313447

COC(=O)c1nc([N+](=O)[O-])cn1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35

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
SCHEMBL5330886 0.88 LMNA (0.34) MITFALDH1A1KMT2AMEN1HPGD
SCHEMBL1594419 0.83 MITF (0.52) MITFALDH1A1KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL5741754 0.82 MITF (0.51) MITFALDH1A1KMT2AMEN1GAA
SCHEMBL3287960 0.81 ALDH1A1 (0.41) MITFALDH1A1KMT2APKML3MBTL1
Lithium SCHEMBL30668131 0.80 ALDH1A1 (0.40) MITFALDH1A1KMT2APKML3MBTL1
SCHEMBL30668083 0.80 ALDH1A1 (0.40) MITFALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL9385677 0.80 ALDH1A1 (0.40) MITFALDH1A1KMT2AGAAPKM
SCHEMBL5333313 0.79 P2RY12 (0.37) MITFNPSR1ALDH1A1KMT2AMEN1
SCHEMBL14003294 0.78 P2RY12 (0.40) MITFNPSR1KMT2AMEN1MAPT
SCHEMBL9385579 0.77 ALDH1A1 (0.36) MITFALDH1A1KMT2AGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2023-10-05 US disclosed
WO-2023149487-A1 METHOD FOR PRODUCING PYRROLE-IMIDAZOLE POLYAMIDE 国立大学法人千葉大学 2023-08-10 WO disclosed
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2007-11-15 US disclosed
WO-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO disclosed
CN-1211371-C Single imidazole/multiamine acylamide kind compound and its synthesis method and use UNIV TSINGHUA (CN) 2005-07-20 CN disclosed
CN-1475483-A Single imidazole/multiamine acylamide kind compound and its synthesis method and use 清华大学 2004-02-18 CN disclosed
WO-2003020877-A2 STAINING AND SORTING GENOMES AND CHROMOSOMES USING SEQUENCE-SPECIFIC POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-13 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 (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-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes POLRMT, MPI, PPIF MITF 740/4885NPSR1 1934/4885ALDH1A1 3611/4885
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF BCR, PDCD1LG2, PRLHR MITF 3719/4885NPSR1 153/4885ALDH1A1 1636/4885

“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.