SCHEMBL3138233

SCHEMBL3138233

CCOC(=O)N1CCN(Cc2ccc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
PLA2G1B P04054 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
LMNA P02545 4/20 0.46
TP53 P04637 1/20 0.46
MAPK14 Q16539 1/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 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
SCHEMBL3035668 0.86 PRKAA2 (0.58) PRKAA2SMN1; SMN2LMNAHRH3MAPK1
SCHEMBL8220138 0.85 PRKAA2 (0.57) PRKAA2SMN1; SMN2MAPK14KCNQ3KCNQ2
SCHEMBL3129054 0.85 PRKAA2 (0.51) PRKAA2SMN1; SMN2MAPTPLA2G1BCYP1A2
Hydrochloric Acid SCHEMBL3133196 0.84 PRKAA2 (0.50) PRKAA2SMN1; SMN2MAPTPLA2G1BCYP1A2
SCHEMBL3147389 0.83 MEN1 (0.57) PRKAA2MAPTCYP1A2CYP3A4CYP2D6
Bromide SCHEMBL3053365 0.81 PRKAA2 (0.47) PRKAA2SMN1; SMN2MAPTPLA2G1BCYP1A2
Hydrochloric Acid SCHEMBL4761834 0.81 MAPK1 (0.58) PRKAA2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3137030 0.80 KCNQ3 (0.58) SMN1; SMN2MAPTPLA2G1BCYP1A2CYP3A4
SCHEMBL3137193 0.80 KCNQ3 (0.47) SMN1; SMN2MAPTPLA2G1BCYP1A2CYP3A4
SCHEMBL3133330 0.80 MEN1 (0.53) PRKAA2SMN1; SMN2MAPTCYP1A2CYP3A4

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 10 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
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO 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 4793/4885SMN1; SMN2 4313/4885MAPT 4315/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 PRKAA2 4098/4885SMN1; SMN2 3224/4885MAPT 4866/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 PRKAA2 4856/4885SMN1; SMN2 3077/4885MAPT 4163/4885

“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.