SCHEMBL2133889

SCHEMBL2133889

CCCC(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
HTR7 P34969 5/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 3/20 0.64
POLB P06746 1/20 0.64
LMNA P02545 3/20 0.63
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
HSD11B1 P28845 1/20 0.59

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
SCHEMBL2131424 0.91 ABL1 (0.63) ALDH1A1HTR7SMN1; SMN2KDM4EPOLB
SCHEMBL2131896 0.90 ALDH1A1 (0.60) ALDH1A1HTR7SMN1; SMN2KDM4EPOLB
SCHEMBL14301937 0.88 HTR7 (0.59) ALDH1A1HTR7SMN1; SMN2KDM4EPOLB
SCHEMBL2841801 0.87 ALDH1A1 (0.68) ALDH1A1HTR7SMN1; SMN2KDM4EPOLB
SCHEMBL15224106 0.86 SIGMAR1 (0.69) ALDH1A1HTR7SMN1; SMN2KDM4EPOLB
SCHEMBL9988381 0.86 HTR7 (0.66) ALDH1A1HTR7SMN1; SMN2KDM4EPOLB
SCHEMBL9819732 0.86 TSHR (0.71) ALDH1A1HTR7SMN1; SMN2POLBLMNA
SCHEMBL3920370 0.85 LMNA (0.55) ALDH1A1HTR7SMN1; SMN2KDM4EPOLB
SCHEMBL10981139 0.83 HTR7 (0.63) ALDH1A1HTR7SMN1; SMN2KDM4EPOLB
SCHEMBL15224157 0.83 HTR7 (0.63) ALDH1A1HTR7SMN1; SMN2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US 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-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-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
EP-2445495-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS Bioversys AG (CH) 2012-05-02 EP disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 WO disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 WO disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS PRMT7, NCOA3, PRMT3 ALDH1A1 3428/4885HTR7 127/4885SMN1; SMN2 4154/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ALDH1A1 565/4885HTR7 2168/4885SMN1; SMN2 4313/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885HTR7 4206/4885SMN1; SMN2 3224/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885HTR7 1316/4885SMN1; SMN2 3077/4885

“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.