SCHEMBL2544304

SCHEMBL2544304

O=[N+]([O-])c1ccc(N2C=NCN(c3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.47
SIRT6 Q8N6T7 2/20 0.47
POLB P06746 2/20 0.47
ADRB1 P08588 1/20 0.47
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
AKR1C3 P42330 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8758946 0.87 MAPT (0.41) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL4889715 0.87 MAPT (0.41) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL574986 0.74 NPSR1 (0.38) MAPTALDH1A1POLBADRB1LMNA
SCHEMBL29286373 0.73 SIRT6 (0.49) MAPTALDH1A1SIRT6POLBADRB1
Iodide SCHEMBL29895341 0.72 SIRT6 (0.47) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL2484098 0.72 MAPT (0.55) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6151230 0.72 SIRT6 (0.81) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL15271381 0.72 SIRT6 (0.81) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL3439980 0.70 POLB (0.73) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL378458 0.69 MAPT (0.96) MAPTALDH1A1SIRT6POLBADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217022-B2 Analogues of 1,3-bis(4-nitrophenyl)triazenes, their pharmaceutically acceptable salts and N-acyl derivatives for tumour treatment RUDJER BOSKOVIC INSTITUTE (HR) 2012-07-10 US disclosed
US-20110224412-A1 Analogues Of 1,3-Bis(4-Nitrophenyl)Triazenes, Their Pharmaceutically Acceptable Salts And N-Acyl Derivatives For Tumour Treatment RUDJER BOSKOVIC INSTITUTE (HR) 2011-09-15 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 (1 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-20110224412-A1 Analogues Of 1,3-Bis(4-Nitrophenyl)Triazenes, Their Pharmaceutically Acceptable Salts And N-Acyl Derivatives For Tumour Treatment H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, BAD MAPT 3013/4885ALDH1A1 2073/4885SIRT6 2692/4885

“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.