SCHEMBL563131

SCHEMBL563131

C#CCOCCOCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KAT2B Q92831 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL8718178 0.89 MAPT (0.70) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL13554708 0.85 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL13554634 0.85 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL563248 0.84 MAPT (0.62) MAPTSMN1; SMN2L3MBTL1MAPK1ALDH1A1
SCHEMBL1659928 0.84 MAPT (0.62) MAPTSMN1; SMN2L3MBTL1MAPK1ALDH1A1
SCHEMBL563461 0.84 MAPT (0.62) MAPTSMN1; SMN2L3MBTL1MAPK1ALDH1A1
SCHEMBL9820324 0.81 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL563250 0.81 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6595723 0.79 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL21071015 0.79 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2KAT2B

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084517-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2024-09-10 US disclosed
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2024-02-29 US disclosed
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2024-02-29 US disclosed
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2024-02-29 US disclosed
US-11725064-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2023-08-15 US disclosed
US-11725064-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2023-08-15 US disclosed
US-11725064-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2023-08-15 US disclosed
US-20220023428-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-27 US disclosed
US-20220023428-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-27 US disclosed
US-11014992-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2021-05-25 US disclosed
US-20160347863-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS YALE UNIVERSITY 2016-12-01 US disclosed
US-9296708-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2016-03-29 US disclosed
US-9296708-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2016-03-29 US disclosed
US-9296708-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2016-03-29 US disclosed
US-8852630-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2014-10-07 US disclosed
US-8852630-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2014-10-07 US disclosed
US-8852630-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2014-10-07 US disclosed
US-20120034295-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS YALE UNIVERSITY 2012-02-09 US disclosed
US-20120034295-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS YALE UNIVERSITY 2012-02-09 US disclosed
US-20120034295-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS YALE UNIVERSITY 2012-02-09 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 (7 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-11725064-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 MAPT 199/4885NPC1 2723/4885RAB9A 1823/4885
US-20120034295-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 MAPT 199/4885NPC1 2723/4885RAB9A 1823/4885
US-20220023428-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 MAPT 199/4885NPC1 2723/4885RAB9A 1823/4885
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 MAPT 199/4885NPC1 2723/4885RAB9A 1823/4885
US-11014992-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 MAPT 199/4885NPC1 2723/4885RAB9A 1823/4885
US-12084517-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 MAPT 199/4885NPC1 2723/4885RAB9A 1823/4885
US-20160347863-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 MAPT 199/4885NPC1 2723/4885RAB9A 1823/4885

“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.