SCHEMBL1007598

SCHEMBL1007598

COC(=O)c1nn2c(c1[N+](=O)[O-])C(=O)NCC2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALOX5 P09917 2/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ELANE P08246 2/20 0.30
F2 P00734 1/20 0.30
PLAU P00749 1/20 0.30
KLKB1 P03952 1/20 0.30
CTRB1 P17538 1/20 0.30
SIRT6 Q8N6T7 1/20 0.30

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
SCHEMBL18632621 0.81 KDM4C (0.36) SMN1; SMN2PARP1ALDH1A1NPSR1ALOX5
SCHEMBL1006452 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL1006129 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL6379773 0.75 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL31158519 0.70 MAPK1 (0.39) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL9940798 0.68 PARP1 (0.38) PARP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL18655531 0.68 ALOX5 (0.34) PARP1ALDH1A1ALOX5ALOX5APFEN1
SCHEMBL30548345 0.68 ALOX5 (0.32) ALOX5ALOX5APFEN1
SCHEMBL26134986 0.67 ELANE (0.35) PARP1ALDH1A1NPSR1ALOX5ALOX5AP
SCHEMBL9977655 0.67 PARP1 (0.37) PARP1ALDH1A1MAPTMEN1KMT2A

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
US-20050107412-A1 Pharmaceutically active compounds PFIZER INC 2005-05-19 US disclosed
US-6831074-B2 Inhibitors of cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDES); for use in therapy of sexual disorders PFIZER INC 2004-12-14 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 (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-20050107412-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3B SMN1; SMN2 2441/4885PARP1 880/4885ALDH1A1 720/4885
US-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 SMN1; SMN2 3616/4885PARP1 1561/4885ALDH1A1 614/4885

“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.