SCHEMBL1006129

SCHEMBL1006129

COC(=O)c1nn2c(c1[N+](=O)[O-])C(=O)N(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SIRT6 Q8N6T7 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ELANE P08246 2/20 0.31
F2 P00734 1/20 0.31
PLAU P00749 1/20 0.31
KLKB1 P03952 1/20 0.31
CTRB1 P17538 1/20 0.31
PKM P14618 1/20 0.30
OPRK1 P41145 2/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 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
SCHEMBL1005977 0.86 CYP1A2 (0.33) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL1007761 0.85 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1PKMKDM4EPOLB
SCHEMBL6379773 0.84 ALDH1A1 (0.36) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL18665244 0.81 NPSR1 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1NPSR1
SCHEMBL1006452 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2ASIRT6ALDH1A1
SCHEMBL1007598 0.78 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2ASIRT6ALDH1A1
SCHEMBL18660603 0.72 HRH2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL31158519 0.71 MAPK1 (0.39) SMN1; SMN2MEN1KMT2ASIRT6ALDH1A1
SCHEMBL4196385 0.69 LMNA (0.44) SMN1; SMN2KMT2AALDH1A1PKM
SCHEMBL7005474 0.68 MEN1 (0.53) SMN1; SMN2MEN1KMT2ANPSR1PKM

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-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

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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 SMN1; SMN2 3616/4885MEN1 1454/4885KMT2A 1139/4885

“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.