SCHEMBL255686

SCHEMBL255686

CC(=O)NCCc1ccc(Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
F13A1 P00488 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
PTGS1 P23219 1/20 0.51
BLM P54132 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACACB O00763 4/20 0.51
ATM Q13315 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL4440918 0.85 NPC1 (0.58) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL2632301 0.83 ALDH1A1 (0.57) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL29811285 0.83 ALDH1A1 (0.57) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL2091579 0.82 KDM4E (0.57) KDM4EF13A1ALDH1A1NPC1RAB9A
SCHEMBL15492721 0.82 KDM4E (0.62) KDM4EF13A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14297223 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3634189 0.81 MEN1 (0.52) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL20037804 0.81 KDM4E (0.56) KDM4EF13A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL18291413 0.81 KDM4E (0.56) KDM4EF13A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL10592850 0.78 KDM4E (0.84) KDM4EF13A1ALDH1A1SMN1; SMN2LMNA

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 6 patents. 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
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-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
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 (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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G KDM4E 4276/4885F13A1 1946/4885MEN1 500/4885

“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.