SCHEMBL1655587

SCHEMBL1655587

CCOC(=O)c1cc2c(F)ccc([N+](=O)[O-])c2n1COC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 2/20 0.40
PTGER4 P35408 1/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
POLB P06746 3/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1653079 0.89 ALDH1A1 (0.41) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL13675238 0.81 KMT2A (0.40) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL1653950 0.80 CCR2 (0.46) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL28463276 0.76 POLB (0.46) MAPTALDH1A1RAB9ALMNAKMT2A
SCHEMBL1652986 0.74 ALDH1A1 (0.36) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL28899829 0.73 FBP1 (0.42) MAPTALDH1A1RAB9ALMNAKMT2A
SCHEMBL4650061 0.73 KMT2A (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL1655590 0.72 POLB (0.38) MAPTALDH1A1RAB9ALMNAKMT2A
SCHEMBL28455680 0.70 ALDH1A1 (0.45) MAPTALDH1A1RAB9ALMNAKMT2A
SCHEMBL1653233 0.70 MEN1 (0.45) MAPTALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-1873144-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-07-23 EP disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 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-20090247746-A1 Fused heterocyclic compound GCKR, GCK, GPR119 MAPT 4377/4885ALDH1A1 372/4885RAB9A 2871/4885

“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.