SCHEMBL4156216

SCHEMBL4156216

CCCCCCCCOc1ccc(Br)cc1CO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.55
LMNA P02545 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 2/20 0.54
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PLA2G2D Q9UNK4 1/20 0.44
SMPD1 P17405 3/20 0.44
S1PR3 Q99500 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
SCHEMBL4143119 1.00 SMN1; SMN2 (0.60) SMN1; SMN2NPSR1PTGDR2LMNANPC1
SCHEMBL13455066 0.89 NPC1 (0.59) SMN1; SMN2NPSR1PTGDR2LMNANPC1
SCHEMBL27728526 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1LMNANPC1RAB9A
SCHEMBL10384176 0.83 NR5A1 (0.53) MEN1KMT2AHTTCYSLTR2CYSLTR1
SCHEMBL10384247 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1LMNANPC1RAB9A
SCHEMBL5441890 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1LMNANPC1RAB9A
SCHEMBL29840690 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1LMNANPC1RAB9A
SCHEMBL6410232 0.82 PTGDR2 (0.63) SMN1; SMN2NPSR1PTGDR2LMNANPC1
SCHEMBL1777203 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1LMNANPC1RAB9A
SCHEMBL13455069 0.82 PTGDR2 (0.63) SMN1; SMN2NPSR1PTGDR2LMNANPC1

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 13 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
CN-101346346-B Amine compound and use thereof for medical purposes MITSUBISH TANABE PHARMA CORP 2012-08-22 CN 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
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
CN-101346346-A Amine compound and use thereof for medical purposes MITSUBISH TANABE PHARMA CORP (JP) 2009-01-14 CN disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 EP 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 114/4885PTGDR2 660/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 SMN1; SMN2 3706/4885NPSR1 114/4885PTGDR2 660/4885

“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.