SCHEMBL8437614

SCHEMBL8437614

CCCCN(C(=O)C(c1ccccc1)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 19/20 0.65
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8436513 0.92 CXCR3 (0.69) CXCR3ALDH1A1
SCHEMBL13291637 0.85 CXCR3 (0.49) CXCR3
SCHEMBL12829861 0.83 CXCR3 (0.88) CXCR3
SCHEMBL16152253 0.83 CXCR3 (0.58) CXCR3
SCHEMBL14622633 0.81 CXCR3 (0.51) CXCR3
SCHEMBL14264700 0.79 CXCR3 (0.63) CXCR3
SCHEMBL12464100 0.77 CXCR3 (0.67) CXCR3
SCHEMBL13633585 0.76 CXCR3 (0.57) CXCR3
SCHEMBL14264691 0.75 CXCR3 (0.62) CXCR3ALDH1A1LMNA
SCHEMBL14621270 0.75 CXCR3 (0.92) CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170246168-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-08-31 US disclosed
US-20170246168-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-08-31 US disclosed
US-9649312-B2 Compositions and methods of treatment of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-05-16 US disclosed
US-9649312-B2 Compositions and methods of treatment of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-05-16 US disclosed
US-20160324858-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2016-11-10 US disclosed
US-20160324858-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2016-11-10 US disclosed
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US disclosed
US-20130190495-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2013-07-25 US disclosed
US-20130190495-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2013-07-25 US disclosed
US-8349853-B2 Detection defect in gene expression of hedgehog gene; diagnosis of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2013-01-08 US disclosed
US-8349853-B2 Detection defect in gene expression of hedgehog gene; diagnosis of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2013-01-08 US disclosed
EP-1425016-B1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORP (US) 2010-06-02 EP disclosed
EP-2116248-A1 Compositions and Methods of Treatment of Cancer Minerva Biotechnologies Corporation (US) 2009-11-11 EP disclosed
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-08-28 US disclosed
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MINERVA BIOTECHNOLOGIES CORPORATION 2008-03-13 US disclosed
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MINERVA BIOTECHNOLOGIES CORPORATION 2008-03-13 US disclosed
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 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 (6 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-20160324858-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MUC1, TP53, BRCA1 CXCR3 109/4885ALDH1A1 833/4885LMNA 2567/4885
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO CXCR3 941/4885ALDH1A1 2174/4885LMNA 4560/4885
US-20050070578-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO CXCR3 794/4885ALDH1A1 1212/4885LMNA 4848/4885
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MUC1, CD44, TP53 CXCR3 1257/4885ALDH1A1 674/4885LMNA 2816/4885
US-20130190495-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MUC1, TP53, BRCA1 CXCR3 109/4885ALDH1A1 833/4885LMNA 2567/4885
US-20170246168-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MUC1, TP53, BRCA1 CXCR3 109/4885ALDH1A1 833/4885LMNA 2567/4885

“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.