SCHEMBL21751695

SCHEMBL21751695

NS(=O)(=O)c1ccc(NCCN2CCNCC2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
PKM P14618 6/20 0.59
POLB P06746 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
GAA P10253 3/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
DOT1L Q8TEK3 1/20 0.45

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
Hydrochloric Acid SCHEMBL21751590 0.99 MAPT (0.58) MAPTPKMPOLBSMN1; SMN2CA1
SCHEMBL2481693 0.88 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2CA1
SCHEMBL1957750 0.87 MAPT (0.63) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1958872 0.86 MAPT (0.62) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL29482111 0.86 MAPT (0.62) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1957549 0.85 MAPT (0.50) MAPTPKMPOLBSMN1; SMN2CA1
SCHEMBL21542230 0.84 MAPT (0.58) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1700080 0.83 MAPT (0.67) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21542231 0.83 MAPT (0.57) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21542233 0.83 MAPT (0.57) MAPTPKMPOLBSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12220419-B2 BCL-2 inhibitors NEWAVE PHARMACEUTICAL INC. (US) 2025-02-11 US disclosed
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2022-11-24 US disclosed
US-20210315904-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2021-10-14 US disclosed
WO-2021066873-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2021-04-08 WO disclosed
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 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 (3 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-20210315904-A1 BCL-2 INHIBITORS BCL2L10, BCL2, BCL2L11 MAPT 4392/4885PKM 2525/4885POLB 1338/4885
US-12220419-B2 BCL-2 inhibitors BCL2L10, BCL2, BCL2L11 MAPT 4392/4885PKM 2525/4885POLB 1338/4885
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS BCL2L11, BCL2L10, BCL2 MAPT 4406/4885PKM 2342/4885POLB 986/4885

“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.