SCHEMBL1972122

SCHEMBL1972122

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
FBP1 P09467 5/20 0.48
HTR2A P28223 2/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MGLL Q99685 2/20 0.46
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3824943 0.83 FBP1 (0.66) BCL9CTNNB1FBP1HTR2AMAPT
SCHEMBL6359040 0.83 BCL9 (0.56) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL278663 0.83 BCL9 (0.62) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL6388615 0.81 HTR2A (0.48) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL6348996 0.81 BCL9 (0.56) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL7756209 0.81 SMN1; SMN2 (0.44) BCL9CTNNB1HTR2AMAPTCRHBP
SCHEMBL3235538 0.80 ABCB11 (0.46) FBP1HTR2AGAAPPARACYP3A4
SCHEMBL1461897 0.80 ELANE (0.60) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL763093 0.79 BCL9 (0.54) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL6855436 0.78 BCL9 (0.56) BCL9CTNNB1HTR2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 EP disclosed
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8592454-B2 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B BCL9 3810/4885CTNNB1 4280/4885FBP1 4549/4885

“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.