SCHEMBL25416367

SCHEMBL25416367

NS(=O)(=O)c1ccc(NCC2(CO)CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.53
PKM P14618 4/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 4/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
DOT1L Q8TEK3 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.44
XBP1 P17861 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1956687 0.90 MAPT (0.52) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1960069 0.89 MAPT (0.51) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16037346 0.87 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL25416060 0.84 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL25417727 0.81 CA2 (0.39) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL22653521 0.79 MAPT (0.52) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16038538 0.78 MAPT (0.57) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL31286232 0.78 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16037626 0.78 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL25415098 0.77 CA2 (0.46) MAPTPKMPOLBGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2023-05-11 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 (1 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-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 3890/4885PKM 4532/4885POLB 1702/4885

“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.