SCHEMBL3604126

SCHEMBL3604126

O=C1NCc2ccc([N+](=O)[O-])cc2N1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.48
PNMT P11086 5/20 0.46
ADRA2A P08913 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CAPN9 O14815 1/20 0.44
CASP3 P42574 1/20 0.44
AKR1B1 P15121 2/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL31491273 1.00 TDP2 (0.48) TDP2PNMTADRA2AMAPTMEN1
SCHEMBL16972804 0.87 PDE3B (0.53) TDP2PNMTADRA2AMAPTMEN1
SCHEMBL14021242 0.84 PNMT (0.46) TDP2PNMTADRA2AMAPTMEN1
SCHEMBL2061424 0.81 PNMT (0.58) TDP2PNMTADRA2AADRA2BADRA2C
SCHEMBL2993057 0.77 TDP2 (0.67) TDP2PNMTADRA2AMAPTMEN1
SCHEMBL495833 0.75 CA9 (0.56) TDP2PNMTADRA2AMAPTKMT2A
SCHEMBL30270534 0.75 CA9 (0.56) TDP2PNMTADRA2AMAPTKMT2A
SCHEMBL6234559 0.75 SIRT2 (0.53) TDP2PNMTADRA2AMAPTMEN1
SCHEMBL654053 0.75 PNMT (0.50) TDP2PNMTADRA2AADRA2BADRA2C
SCHEMBL6636013 0.74 PNMT (0.62) TDP2PNMTADRA2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 TDP2 4713/4885PNMT 3280/4885ADRA2A 571/4885

“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.