SCHEMBL5072019

SCHEMBL5072019

O=c1[nH]cc(Cl)cc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 1/20 0.46
MAPT P10636 5/20 0.43
MCL1 Q07820 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 5/20 0.42
GLA P06280 1/20 0.42
GFER P55789 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DYRK1A Q13627 2/20 0.40
DYRK1B Q9Y463 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TNKS O95271 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
SCHEMBL27934514 0.80 MAPT (0.55) PSDMAPTMCL1MEN1KMT2A
SCHEMBL25517928 0.76 PARP1 (0.53) MAPTMCL1MEN1KMT2AALDH1A1
SCHEMBL5073672 0.72 HTR7 (0.46) MAPTMCL1MEN1KMT2APOLB
SCHEMBL10711574 0.72 MAPT (0.48) PSDMAPTMCL1MEN1KMT2A
SCHEMBL16573977 0.71 ALDH1A1 (0.50) PSDMAPTMCL1MEN1KMT2A
SCHEMBL458846 0.71 KDM4E (0.61) MAPTRAB9AALDH1A1GLAL3MBTL1
SCHEMBL29395323 0.70 NPBWR1 (0.52) PSDMAPTMCL1MEN1KMT2A
SCHEMBL4541837 0.70 GPR35 (0.47) MAPTMCL1MEN1KMT2APOLB
SCHEMBL10992941 0.70 TTK (0.60) MAPTMCL1MEN1KMT2APOLB
SCHEMBL27679889 0.70 MAPT (0.64) MAPTMEN1KMT2AALDH1A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410984-B2 Compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-12 US disclosed
US-20050288337-A1 Novel compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-29 US disclosed
EP-1539696-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2005-06-15 EP disclosed
WO-2004014859-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2004-02-19 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-20050288337-A1 Novel compounds ITGB4, ITGA4, ITGB5 PSD 2601/4885MAPT 2868/4885MCL1 436/4885

“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.