SCHEMBL2553017

SCHEMBL2553017

CCOc1ccc(NCC(O)Cn2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.69
MAPT P10636 7/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
GAA P10253 1/20 0.63
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL409536 0.90 MAPT (0.80) DNM1MAPTMEN1KMT2AALDH1A1
SCHEMBL410694 0.87 MAPT (0.80) DNM1MAPTMEN1KMT2AALDH1A1
SCHEMBL411195 0.83 DNM1 (0.69) DNM1MAPTMEN1KMT2AALDH1A1
SCHEMBL409461 0.83 DNM1 (0.78) DNM1MAPTMEN1KMT2AALDH1A1
SCHEMBL408965 0.82 DNM1 (1.00) DNM1MAPTMEN1KMT2AALDH1A1
SCHEMBL15132554 0.79 DNM1 (0.71) DNM1MAPTMEN1KMT2AALDH1A1
SCHEMBL411693 0.77 ALDH1A1 (1.00) DNM1MAPTMEN1KMT2AALDH1A1
SCHEMBL12960306 0.77 DNM1 (0.68) DNM1MAPTMEN1KMT2AALDH1A1
SCHEMBL12259108 0.75 MAPT (0.71) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL19559313 0.75 DNM1 (0.78) DNM1MAPTMEN1KMT2AALDH1A1

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 DNM1 1556/4885MAPT 443/4885MEN1 56/4885
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS PKD1, PCSK9, SLC10A1 DNM1 1556/4885MAPT 443/4885MEN1 56/4885

“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.