SCHEMBL2568428

SCHEMBL2568428

N=c1n(CCN2CCCCC2)c2ccccc2n1CC(O)COc1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.84
TP53 P04637 7/20 0.84
TSHR P16473 7/20 0.82
ALOX15 P16050 1/20 0.82
LMNA P02545 5/20 0.81
MAPT P10636 3/20 0.81
ALDH1A1 P00352 2/20 0.80
F8 P00451 1/20 0.75
F5 P12259 1/20 0.75
MAPK1 P28482 3/20 0.66
NPSR1 Q6W5P4 2/20 0.62
KMT2A Q03164 2/20 0.62
MITF O75030 1/20 0.62
HTT P42858 1/20 0.62
MEN1 O00255 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
SCHEMBL7629030 0.99 SMN1; SMN2 (0.82) SMN1; SMN2TP53TSHRALOX15LMNA
SCHEMBL17749545 0.86 SMN1; SMN2 (1.00) SMN1; SMN2TP53TSHRALOX15LMNA
SCHEMBL17749572 0.84 MAPK1 (0.79) SMN1; SMN2TP53TSHRALOX15LMNA
SCHEMBL17749647 0.82 LMNA (0.83) SMN1; SMN2TP53TSHRALOX15LMNA
SCHEMBL17749611 0.81 POLB (0.78) SMN1; SMN2TP53TSHRALOX15LMNA
SCHEMBL2495262 0.81 LMNA (0.91) SMN1; SMN2TP53TSHRALOX15LMNA
SCHEMBL17749592 0.81 LMNA (0.68) SMN1; SMN2TP53TSHRALOX15LMNA
SCHEMBL2496035 0.80 LMNA (0.89) SMN1; SMN2TP53TSHRALOX15LMNA
SCHEMBL17749631 0.79 SMN1; SMN2 (0.71) SMN1; SMN2TP53TSHRALOX15LMNA
SCHEMBL17749610 0.78 LMNA (0.80) SMN1; SMN2TP53TSHRALOX15LMNA

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 SMN1; SMN2 73/4885TP53 1897/4885TSHR 4456/4885
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS PKD1, PCSK9, SLC10A1 SMN1; SMN2 73/4885TP53 1897/4885TSHR 4456/4885

“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.