SCHEMBL2484091

SCHEMBL2484091

O=[N+]([O-])c1ccc(N2C=CCN(c3ccc([N+](=O)[O-])cc3Cl)N2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
LMNA P02545 7/20 0.45
MAPT P10636 9/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 3/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL2544301 0.72 SIRT6 (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11853980 0.70 ALOX5 (0.56) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL6815260 0.69 GAA (0.69) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL899512 0.69 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL29793662 0.69 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL6811691 0.68 GAA (0.71) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL6141689 0.67 POLB (0.60) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL28021548 0.67 ALDH1A1 (0.63) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL10913298 0.66 HSD17B10 (0.56) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL2103553 0.66 ALDH1A1 (0.68) ALDH1A1LMNAMAPTSMN1; SMN2GAA

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 ALDH1A1 2073/4885LMNA 1335/4885MAPT 3013/4885

“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.