SCHEMBL20968369

SCHEMBL20968369

CCCCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.66
MAPT P10636 5/20 0.64
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 3/20 0.60
PKM P14618 2/20 0.60
ALDH1A1 P00352 1/20 0.59
PRSS1 P07477 2/20 0.54
KAT2B Q92831 3/20 0.53
CYP19A1 P11511 2/20 0.52
RIPK1 Q13546 2/20 0.50

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
SCHEMBL10428098 1.00 HCAR3 (0.66) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL16152114 1.00 HCAR3 (0.66) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL29306545 0.99 HCAR3 (0.67) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL14294847 0.94 MAPT (0.69) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL13168998 0.88 MAPT (0.61) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL14063303 0.88 HCAR3 (0.65) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL8147273 0.88 MAPT (0.65) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL8744502 0.87 MAPT (0.58) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL17923845 0.86 KAT2B (0.64) MAPTKDM4EPOLBPKMALDH1A1
SCHEMBL9098100 0.86 MAPT (0.57) HCAR3MAPTKDM4ELMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10703823-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2020-07-07 US disclosed
US-20190127487-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS YALE UNIVERSITY 2019-05-02 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 (4 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 HCAR3 2331/4885MAPT 199/4885KDM4E 971/4885
US-20220023428-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 HCAR3 2331/4885MAPT 199/4885KDM4E 971/4885
US-20190127487-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 HCAR3 2331/4885MAPT 199/4885KDM4E 971/4885
US-10703823-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 HCAR3 2331/4885MAPT 199/4885KDM4E 971/4885

“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.