SCHEMBL419496

SCHEMBL419496

O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(Br)o2)CN1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.41
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MIF P14174 1/20 0.34
SLC9A1 P19634 1/20 0.34
PKM P14618 1/20 0.34
MAPK10 P53779 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL419747 0.89 PDE4B (0.44) PDE4BALDH1A1MAPTNPC1RAB9A
SCHEMBL10102797 0.88 PDE4B (0.41) PDE4BALDH1A1MAPTNPC1RAB9A
SCHEMBL421433 0.85 PDE4B (0.41) PDE4BALDH1A1MAPTNPC1RAB9A
SCHEMBL420353 0.84 CHRNA4 (0.33) ALDH1A1NPC1RAB9A
SCHEMBL2510578 0.83 PDE4B (0.38) PDE4BALDH1A1MAPTNPC1RAB9A
SCHEMBL420239 0.81 PDE4B (0.37) PDE4BALDH1A1MAPTNPC1RAB9A
SCHEMBL417480 0.81 PDE4B (0.38) PDE4BALDH1A1MAPTNPC1RAB9A
SCHEMBL420516 0.80 MAOB (0.45) PDE4BMAPTTP53SMN1; SMN2MEN1
SCHEMBL418259 0.80 PDE4B (0.37) PDE4BALDH1A1MAPTNPC1RAB9A
SCHEMBL423778 0.78 RAB9A (0.38) ALDH1A1MAPTNPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376479-B1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2016-03-02 EP disclosed
EP-2376479-B1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2016-03-02 EP disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
WO-2010075957-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 WO disclosed
WO-2010075957-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 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-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AADAC, DDC, TPMT PDE4B 1900/4885ALDH1A1 676/4885MAPT 4132/4885

“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.