SCHEMBL10140437

SCHEMBL10140437

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
HTR2A P28223 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
MGLL Q99685 2/20 0.43
NR1H4 Q96RI1 1/20 0.42
ELANE P08246 1/20 0.42
PTPN7 P35236 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1461897 0.83 ELANE (0.60) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL343250 0.81 GAA (0.51) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL2721445 0.81 GAA (0.54) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL763093 0.79 BCL9 (0.54) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL3371416 0.79 BCL9 (0.50) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL6348996 0.78 BCL9 (0.56) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL5487025 0.78 GAA (0.51) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL6359040 0.78 BCL9 (0.56) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL903436 0.78 BCL9 (0.52) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL7412943 0.78 GAA (0.51) GAABCL9CTNNB1HTR2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 GAA 3541/4885BCL9 1839/4885CTNNB1 2154/4885

“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.