SCHEMBL3129054

SCHEMBL3129054

O=C(Nc1ccc(Oc2ccc(CN3CCNCC3)cc2)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.51
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
MAPK7 Q13164 2/20 0.47
SLC2A1 P11166 1/20 0.47
F10 P00742 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
MLLT1 Q03111 1/20 0.45
MAPK14 Q16539 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NOD1 Q9Y239 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44

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
Hydrochloric Acid SCHEMBL3133196 0.88 PRKAA2 (0.50) PRKAA2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3138233 0.85 PRKAA2 (0.53) PRKAA2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3147389 0.85 MEN1 (0.57) PRKAA2L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL3035668 0.84 PRKAA2 (0.58) PRKAA2SMN1; SMN2KDM4E
SCHEMBL3137030 0.83 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1PLA2G1B
SCHEMBL8220138 0.83 PRKAA2 (0.57) PRKAA2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3143391 0.82 KCNQ3 (0.56) KCNQ3KCNQ2KCNE1KCNQ1PLA2G1B
Hydrochloric Acid SCHEMBL3137931 0.81 NOD1 (0.47) PRKAA2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3134559 0.80 KCNQ3 (0.47) PRKAA2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3142651 0.80 KCNQ3 (0.54) KCNQ3KCNQ2KCNE1KCNQ1L3MBTL1

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
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 PRKAA2 4793/4885KCNQ3 1570/4885KCNQ2 1451/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 PRKAA2 4098/4885KCNQ3 4035/4885KCNQ2 3926/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 PRKAA2 4856/4885KCNQ3 3700/4885KCNQ2 3623/4885

“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.