SCHEMBL2555583

SCHEMBL2555583

Cc1noc(NS(=O)(=O)c2ccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)cc2)c1C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 11/20 0.67
▸ EDNRB P24530 8/20 0.67
▸ MAPT P10636 3/20 0.60
▸ POLB P06746 1/20 0.59
▸ GFER P55789 1/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ TTR P02766 1/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL7716850 0.82 EDNRA (1.00) EDNRAEDNRBMEN1KMT2ACYP2C9
SCHEMBL1789659 0.81 TTR (0.76) MAPTPOLBGFERMEN1KMT2A
SCHEMBL1791652 0.80 TTR (0.81) MAPTPOLBGFERMEN1KMT2A
SCHEMBL1792241 0.80 MAPT (0.76) MAPTPOLBGFERMEN1KMT2A
SCHEMBL2184492 0.79 MAPT (0.75) MAPTPOLBGFERMEN1KMT2A
SCHEMBL1791237 0.79 TTR (0.76) MAPTPOLBGFERMEN1KMT2A
SCHEMBL15095989 0.78 TTR (0.71) MAPTPOLBGFERMEN1KMT2A
SCHEMBL1791643 0.78 MAPT (0.76) MAPTPOLBGFERMEN1KMT2A
SCHEMBL6152009 0.77 EDNRA (1.00) EDNRAEDNRBMEN1KMT2ACYP2C9
SCHEMBL3135247 0.76 MAPT (0.70) MAPTPOLBGFERMEN1KMT2A

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 10 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-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-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 EDNRA 588/4885EDNRB 486/4885MAPT 443/4885
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS PKD1, PCSK9, SLC10A1 EDNRA 588/4885EDNRB 486/4885MAPT 443/4885

“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.

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