SCHEMBL6833539

SCHEMBL6833539

COc1ccc(COc2cncc(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
MAOB P27338 1/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL10154065 0.84 APP (0.53) APPMAOBNPC1RAB9APOLB
SCHEMBL31402943 0.83 APP (0.51) APPMAOBNPC1RAB9APOLB
SCHEMBL7057444 0.82 CHRNB2 (0.49) CHRNB2CHRNA4MAOBKMT2AHDAC6
SCHEMBL6833613 0.81 MAOB (0.53) APPMAOBNPC1RAB9APOLB
SCHEMBL189829 0.81 MAOB (0.53) APPMAOBNPC1RAB9APOLB
SCHEMBL27996147 0.78 APP (0.58) APPMAOBNPC1RAB9APOLB
SCHEMBL16346778 0.78 APP (0.50) APPMAOBNPC1RAB9APOLB
SCHEMBL9618281 0.78 APP (0.67) APPMAOBNPC1RAB9APOLB
SCHEMBL17651874 0.78 ENPP2 (0.47) APPMAOBNPC1RAB9APOLB
SCHEMBL10236868 0.78 RXRA (0.66) NPC1RAB9APOLBSMN1; SMN2

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-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 APP 4630/4885CHRNB2 4672/4885CHRNA4 4836/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 APP 4630/4885CHRNB2 4672/4885CHRNA4 4836/4885

“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.