SCHEMBL23908116

SCHEMBL23908116

NS(=O)(=O)c1cccc([N+](=O)[O-])c1NCC1COCCO1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
PKM P14618 3/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDR P35968 1/20 0.35
P2RX4 Q99571 1/20 0.35
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HCAR3 P49019 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL29402225 1.00 MAPT (0.42) MAPTPKMKMT2AMEN1TDP1
SCHEMBL25169463 0.85 KMT2A (0.50) MAPTPKMKMT2AMEN1LMNA
SCHEMBL25176450 0.84 KMT2A (0.38) MAPTPKMKMT2AMEN1TDP1
SCHEMBL25170416 0.83 KCNH2 (0.41) MAPTPKMKMT2AMEN1TDP1
SCHEMBL25173684 0.83 KCNH2 (0.41) MAPTPKMKMT2AMEN1TDP1
SCHEMBL2480616 0.83 KCNH2 (0.41) MAPTPKMKMT2AMEN1TDP1
SCHEMBL22581389 0.81 MAPT (0.39) MAPTPKMKMT2AMEN1TDP1
SCHEMBL25170395 0.80 KMT2A (0.37) MAPTPKMKMT2AMEN1TDP1
SCHEMBL25170433 0.80 KMT2A (0.37) MAPTPKMKMT2AMEN1TDP1
SCHEMBL31286226 0.80 KMT2A (0.39) MAPTPKMKMT2AMEN1TDP1

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 2 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-20210315904-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2021-10-14 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 (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-20210315904-A1 BCL-2 INHIBITORS BCL2L10, BCL2, BCL2L11 MAPT 4392/4885PKM 2525/4885KMT2A 675/4885
US-12220419-B2 BCL-2 inhibitors BCL2L10, BCL2, BCL2L11 MAPT 4392/4885PKM 2525/4885KMT2A 675/4885

“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.