SCHEMBL3749119

SCHEMBL3749119

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.68
CTNNB1 P35222 1/20 0.68
GAA P10253 1/20 0.57
PTPN7 P35236 1/20 0.56
PTPN12 Q05209 1/20 0.56
PTPN22 Q9Y2R2 1/20 0.56
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
PKM P14618 1/20 0.53
MGLL Q99685 2/20 0.51
ALDH1A1 P00352 2/20 0.49
CES1 P23141 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CES2 O00748 1/20 0.49
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL9967879 0.87 BCL9 (0.70) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL957930 0.87 BCL9 (0.81) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL13892906 0.86 BCL9 (0.64) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL2607873 0.86 BCL9 (0.73) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL11718045 0.85 BCL9 (0.68) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL15604041 0.84 BCL9 (0.54) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL2294260 0.84 BCL9 (0.66) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL2294100 0.84 BCL9 (0.76) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL4076398 0.84 BCL9 (0.66) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL531007 0.84 BCL9 (0.76) BCL9CTNNB1GAAPTPN7PTPN12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102455-A HYDROPHILIC SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF DONG A ST CO LTD 2015-11-25 CN disclosed
US-20100297456-A1 Diamine, Polyamic Acid and Polyimide RICOH COMPANY, LTD. (JP) 2010-11-25 US disclosed
US-4052212-A ETHER-ESTER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1977-10-04 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-20100297456-A1 Diamine, Polyamic Acid and Polyimide PARN, PUF60, PARG BCL9 2790/4885CTNNB1 4857/4885GAA 2011/4885

“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.