SCHEMBL3610075

SCHEMBL3610075

CCOC(=O)C(Cc1cc(OC)ccc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.49
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 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
SCHEMBL2814202 0.91 MAPT (0.43) MAPTSMN1; SMN2LMNACRHBPCRHR2
SCHEMBL17049174 0.90 MAPT (0.55) MAPTSMN1; SMN2LMNACRHBPCRHR2
SCHEMBL28978963 0.90 SMN1; SMN2 (0.51) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL3612159 0.88 MAPT (0.45) MAPTSMN1; SMN2LMNACRHBPCRHR2
SCHEMBL28979246 0.87 LDHA (0.50) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL8650221 0.85 MAPT (0.49) MAPTSMN1; SMN2LMNACRHBPCRHR2
SCHEMBL14188954 0.82 MAPT (0.53) MAPTSMN1; SMN2LMNACRHBPCRHR2
SCHEMBL10320769 0.82 NPC1 (0.52) SMN1; SMN2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL29848981 0.82 ALDH1A1 (0.52) MAPTSMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL19783798 0.82 ALDH1A1 (0.52) MAPTSMN1; SMN2LMNAALDH1A1L3MBTL1

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
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
US-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US disclosed
EP-1070054-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
WO-1999052875-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-21 WO 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 MAPT 4707/4885SMN1; SMN2 4057/4885LMNA 4612/4885

“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.