SCHEMBL166348

SCHEMBL166348

CCCOc1ccc(I)c(C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
ACACB O00763 1/20 0.45
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PLK1 P53350 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
PTPN11 Q06124 1/20 0.41
PARP10 Q53GL7 1/20 0.40
KAT6A Q92794 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40

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
SCHEMBL255650 0.87 PARP10 (0.54) KMT2AL3MBTL1MEN1MAPTPARP10
SCHEMBL166578 0.83 PLA2G2A (0.47) KMT2ATHRATHRBL3MBTL1PLK1
SCHEMBL2154783 0.83 MAPT (0.50) KMT2AACACBL3MBTL1PLK1MEN1
SCHEMBL6835721 0.81 KMT2A (0.53) KMT2AL3MBTL1PLK1MEN1MAPT
SCHEMBL25902923 0.79 THRB (0.51) KMT2AACACBTHRATHRBL3MBTL1
SCHEMBL29047414 0.78 KDM4E (0.50) MAPTHTTCA1CA2PARP10
SCHEMBL4687671 0.77 PARP15 (0.60) KMT2ATHRATHRBMEN1MAPT
SCHEMBL2155094 0.77 MAPT (0.66) KMT2AACACBL3MBTL1MEN1MAPT
SCHEMBL6677588 0.76 LMNA (0.59) KMT2AL3MBTL1MEN1MAPTHTT
SCHEMBL8044794 0.76 ACACB (0.43) KMT2AACACBL3MBTL1PLK1HTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
EP-2614054-B1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
EP-2614054-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-07-17 EP disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 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 (2 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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G KMT2A 4647/4885ACACB 2257/4885THRA 4402/4885
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G KMT2A 4647/4885ACACB 2257/4885THRA 4402/4885

“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.