SCHEMBL7514939

SCHEMBL7514939

O=C(OCc1ccc([N+](=O)[O-])o1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
MAPT P10636 3/20 0.48
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
PDE7A Q13946 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
MGLL Q99685 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28692684 0.84 LMNA (0.53) MAPTLMNAKMT2AALDH1A1
SCHEMBL5827968 0.79 HTR2A (0.80) HTR2ABCL9CTNNB1GAAALDH1A1
SCHEMBL7094532 0.78 HTR2A (0.53) HTR2AMAPTBCL9CTNNB1GAA
SCHEMBL436082 0.77 LMNA (0.51) MAPTLMNAKMT2AALDH1A1
SCHEMBL28692686 0.77 LMNA (0.51) MAPTLMNAKMT2AALDH1A1
SCHEMBL7096139 0.77 HTR2A (0.52) HTR2AMAPTBCL9CTNNB1GAA
SCHEMBL120371 0.77 HTR2A (0.49) HTR2AMAPTGAALMNAKMT2A
SCHEMBL409598 0.77 HTR2A (0.59) HTR2AMAPTBCL9CTNNB1GAA
SCHEMBL4871308 0.76 LMNA (0.50) MAPTLMNAKMT2AALDH1A1
SCHEMBL12524469 0.76 HTR2A (0.74) HTR2AMAPTBCL9CTNNB1GAA

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-20090042820-A1 Tubulin Binding Anti Cancer Agents And Prodrugs Thereof THRESHOLD PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20090042820-A1 Tubulin Binding Anti Cancer Agents And Prodrugs Thereof THRESHOLD PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20070060534-A1 Anthracycline analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070060534-A1 Anthracycline analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
EP-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 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-20070060534-A1 Anthracycline analogs TOP2A, TOP2B, TOP1 HTR2A 4344/4885MAPT 4692/4885BCL9 31/4885
US-20090042820-A1 Tubulin Binding Anti Cancer Agents And Prodrugs Thereof TUBB1, TUBB, TUBB6 HTR2A 4714/4885MAPT 276/4885BCL9 1716/4885

“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.