SCHEMBL4147173

SCHEMBL4147173

CCCCCCCCOc1ccc(Br)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RAB9A P51151 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL4142876 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPSR1RAB9ALMNAHTT
SCHEMBL9585824 0.81 GAA (0.40) LMNAHTTMEN1KMT2AGAA
SCHEMBL1145736 0.80 KDM4E (0.46) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL7773943 0.79 MEN1 (0.51) SMN1; SMN2HTTMEN1KMT2AKDM4E
SCHEMBL26979432 0.76 GAA (0.38) HTTMEN1KMT2AGAANPY1R
SCHEMBL30593420 0.76 GAA (0.38) HTTMEN1KMT2AGAANPY1R
SCHEMBL4513196 0.76 GAA (0.37) LMNAHTTMEN1KMT2AGAA
SCHEMBL14537814 0.76 HPGD (0.43) SMN1; SMN2NPSR1RAB9ALMNAHTT
SCHEMBL4142874 0.76 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1RAB9ALMNAHTT
SCHEMBL4147171 0.76 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1RAB9ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 EP 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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 SMN1; SMN2 3706/4885NPSR1 114/4885RAB9A 2902/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 SMN1; SMN2 3706/4885NPSR1 114/4885RAB9A 2902/4885

“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.