SCHEMBL3142159

SCHEMBL3142159

O=C(Nc1ccc(Oc2ccccc2)c(F)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.67
KCNQ2 O43526 1/20 0.67
KCNE1 P15382 1/20 0.67
KCNQ1 P51787 1/20 0.67
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
KMT2A Q03164 1/20 0.58
PNLIP P16233 4/20 0.57
MET P08581 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PARG Q86W56 2/20 0.52
P2RY1 P47900 1/20 0.51
STK39 Q9UEW8 1/20 0.50

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
SCHEMBL8915769 0.86 KDM4E (0.53) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL3137838 0.86 KDM4E (0.53) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL3131474 0.86 KDM4E (0.53) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL3146704 0.86 KCNQ3 (0.52) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL8915931 0.85 KDM4E (0.52) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL3142227 0.85 KDM4E (0.52) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL5170645 0.85 KCNQ3 (0.51) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL5170635 0.85 KCNQ3 (0.51) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL4715568 0.84 KCNQ3 (0.50) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL5171295 0.83 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KCNQ3 1570/4885KCNQ2 1451/4885KCNE1 453/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KCNQ3 4035/4885KCNQ2 3926/4885KCNE1 2330/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KCNQ3 3700/4885KCNQ2 3623/4885KCNE1 2527/4885

“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.