SCHEMBL3431335

SCHEMBL3431335

CC(=O)Nc1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 5/20 0.42
POLB P06746 5/20 0.42
MEN1 O00255 4/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCL1 Q07820 1/20 0.42
PTK2B Q14289 1/20 0.42
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GALR2 O43603 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL23152847 0.86 MAPT (0.39) MAPTKMT2APOLBMEN1HTT
SCHEMBL18138246 0.80 PRMT1 (0.41) MAPTKMT2APOLBMEN1HTT
SCHEMBL31668869 0.77 LMNA (0.37) MAPTGAAKDM4EKMT2APOLB
SCHEMBL12060660 0.73 LMNA (0.38) MAPTKDM4EKMT2AMEN1CYP1A2
SCHEMBL546991 0.71 NPSR1 (0.43) MAPTKDM4EKMT2APOLBCYP1A2
SCHEMBL27584701 0.71 LMNA (0.33) MAPTKDM4EPOLBCYP3A4LMNA
SCHEMBL29951433 0.71 LMNA (0.37) MAPTGAAKDM4EKMT2AMEN1
SCHEMBL18418873 0.71 L3MBTL1 (0.48) MAPTKMT2APOLBMEN1HTT
Hydrochloric Acid SCHEMBL3467163 0.70 NPSR1 (0.42) MAPTKDM4EKMT2APOLBCYP1A2
SCHEMBL27718447 0.70 GPR35 (0.34) MAPTGAAKDM4EKMT2APOLB

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
CN-1809557-B Compound ASTRAZENECA AB 2012-07-04 CN disclosed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
CN-1809557-A Compound ASTRAZENECA AB (SE) 2006-07-26 CN disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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 (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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 MAPT 2213/4885GAA 89/4885KDM4E 3366/4885

“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.