SCHEMBL1306077

SCHEMBL1306077

C=C[CH]c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
APP P05067 1/20 0.46
INSR P06213 1/20 0.46
NCOA1 Q15788 1/20 0.46
ALDH1A1 P00352 4/20 0.46
ADRA2A P08913 1/20 0.46

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
SCHEMBL719081 0.84 MAPT (0.56) MAPTMEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL9634629 0.82 MAPT (0.54) MAPTMEN1KMT2ARAB9ANPC1
Iodide SCHEMBL8929776 0.82 MAPT (0.54) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL6001350 0.78 MAPT (0.50) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL288476 0.78 MAPT (0.57) MAPTMEN1KMT2ARAB9ANPC1
Pyrene SCHEMBL28845423 0.77 MAPT (0.49) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL3096386 0.76 MAPT (0.51) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL19844258 0.76 RAB9A (0.51) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL29954323 0.76 PSMB8 (0.53) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL221982 0.76 PSMB8 (0.53) MAPTMEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 CN disclosed
CN-101321529-B Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD 2012-09-05 CN disclosed
US-8053598-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
EP-1745014-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2011-07-06 EP disclosed
CN-101611007-A Novel jnk inhibitor SCHERING CORP (US) 2009-12-23 CN disclosed
CN-101522657-A STAT3/5 activation inhibitor OTSUKA PHARMA CO LTD (JP) 2009-09-02 CN disclosed
US-20090012171-A1 Novel Compounds, Their Preparation and Use NOVO NORDISK A/S (CZ) 2009-01-08 US disclosed
CN-101321529-A Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD (JP) 2008-12-10 CN disclosed
CN-1993339-A Aromatic compound OTSUKA PHARMA CO LTD (JP) 2007-07-04 CN disclosed
EP-1745014-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105736-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 WO disclosed
US-5594145-A Process for the preparation of 2(3H)-benzothiazolones HOECHST AG (DE) 1997-01-14 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-20090012171-A1 Novel Compounds, Their Preparation and Use PPARG, PPARD, PPARA MAPT 3709/4885MEN1 4793/4885KMT2A 4592/4885

“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.