SCHEMBL8533619

SCHEMBL8533619

O=C(Nc1nnn[nH]1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
IRAK4 Q9NWZ3 9/20 0.59
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 2/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
MAPT P10636 2/20 0.56
BLM P54132 1/20 0.56
KDR P35968 1/20 0.54
THRA P10827 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
ATM Q13315 1/20 0.53
THRB P10828 1/20 0.52
MAPK9 P45984 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL12892208 0.87 ALOX5 (0.51) KMT2AMEN1IRAK4RAB9ANPC1
SCHEMBL11153052 0.80 SMN1; SMN2 (0.46) KMT2AIRAK4RAB9ANPC1SMN1; SMN2
SCHEMBL10935245 0.80 ALPL (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL15326541 0.79 MEN1 (0.55) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL8538465 0.79 ULK1 (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL12892190 0.79 NT5E (0.57) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11558528 0.79 CYP3A4 (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11559483 0.79 MEN1 (0.52) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL15212571 0.78 ALPL (0.50) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL10791103 0.78 ALPL (0.67) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
EP-0135032-B1 CARBAMATES AND OXALYL AMIDES OF AMINO-N-(1H-TETRAZOL-5-YL) BENZAMIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-09-30 EP disclosed
US-4526979-A Carbamates and oxalamides of amino-N-(1H-tetrazol-5-yl)benzamides MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-02 US disclosed
EP-0135032-A1 Carbamates and oxalyl amides of amino-N-(1H-tetrazol-5-yl) benzamides MERRELL DOW PHARMACEUTICALS INC. (US) 1985-03-27 EP 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-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB KMT2A 4327/4885MEN1 912/4885IRAK4 2206/4885

“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.