SCHEMBL5367595

SCHEMBL5367595

Nc1c(Br)cc(C(=O)CCC(=O)N2CCC(C3Cc4ccccc4NC3=O)CC2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CALCRL Q16602 1/20 0.39
KMT2A Q03164 1/20 0.35
MCHR1 Q99705 2/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
GAA P10253 1/20 0.32
USP19 O94966 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5367601 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CALCRLKMT2AMCHR1PYGL
SCHEMBL5367597 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CALCRLKMT2AMCHR1PYGL
SCHEMBL5383149 0.81 CALCRL (0.57) CALCRL
SCHEMBL5369795 0.80 CALCRL (0.49) CALCRL
SCHEMBL5383010 0.78 CALCRL (0.54) CALCRL
SCHEMBL5370267 0.78 CALCRL (0.48) SMN1; SMN2CALCRL
SCHEMBL14410310 0.78 CALCRL (0.48) SMN1; SMN2CALCRL
SCHEMBL5374739 0.78 CALCRL (0.54) CALCRL
SCHEMBL5374742 0.78 CALCRL (0.54) CALCRL
SCHEMBL5368057 0.76 CALCRL (0.56) CALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 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 (1 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 SMN1; SMN2 3515/4885CALCRL 4/4885KMT2A 4461/4885

“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.