SCHEMBL2553111

SCHEMBL2553111

CCn1c2ccccc2c2ccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccc(C)cc3)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
PIK3CD O00329 1/20 0.59
PIK3CA P42336 1/20 0.59
PIK3CB P42338 1/20 0.59
PIK3CG P48736 1/20 0.59
TTR P02766 1/20 0.56
KDM1A O60341 1/20 0.55
KDM4E B2RXH2 6/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 2/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL12292693 0.94 MAPT (0.72) MAPTMEN1KMT2APIK3CDPIK3CA
SCHEMBL1789159 0.87 MAPT (0.61) MAPTMEN1KMT2APIK3CDPIK3CA
SCHEMBL14050590 0.86 MAPT (0.59) MAPTMEN1KMT2APIK3CDPIK3CA
SCHEMBL1793698 0.86 MAPT (0.59) MAPTMEN1KMT2APIK3CDPIK3CA
SCHEMBL1791652 0.80 TTR (0.81) MAPTMEN1KMT2APIK3CDPIK3CA
SCHEMBL1791839 0.79 MAPT (0.63) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL1792556 0.78 PIK3CD (0.72) MAPTMEN1KMT2APIK3CDPIK3CA
SCHEMBL1789298 0.78 MAPT (0.76) MAPTMEN1KMT2APIK3CDPIK3CA
SCHEMBL6992726 0.77 TTR (0.70) MAPTMEN1KMT2APIK3CDPIK3CA
SCHEMBL1788909 0.77 PIK3CD (0.70) MAPTMEN1KMT2APIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145398-B2 Methods of treating CXCR4-expressing cancers UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-09-29 US disclosed
US-9145398-B2 Methods of treating CXCR4-expressing cancers UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-09-29 US disclosed
US-9145398-B2 Methods of treating CXCR4-expressing cancers UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-09-29 US disclosed
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-10-09 US disclosed
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-10-09 US disclosed
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-10-09 US disclosed
US-8785490-B2 Compounds for treating disease, for administering, and for pharmaceutical compositions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-07-22 US disclosed
US-8785490-B2 Compounds for treating disease, for administering, and for pharmaceutical compositions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-07-22 US disclosed
US-8785490-B2 Compounds for treating disease, for administering, and for pharmaceutical compositions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-07-22 US disclosed
US-20130059852-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20130059852-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20130059852-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
WO-2011127333-A2 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-10-13 WO disclosed
WO-2011127333-A2 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-10-13 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 (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-20130059852-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS PKD1, PCSK9, SLC10A1 MAPT 443/4885MEN1 56/4885KMT2A 2490/4885
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS PKD1, PCSK9, SLC10A1 MAPT 443/4885MEN1 56/4885KMT2A 2490/4885

“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.