SCHEMBL23908174

SCHEMBL23908174

NCCOCCOCCOCCOCCNc1ccccc1[N+](=O)[O-].N[SH](=O)=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.60
MAPT P10636 7/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 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 0.88 MAPT (0.70) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9820324 0.80 MAPT (0.63) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20419955 0.80 KAT2B (0.46) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29154843 0.80 RAB9A (0.56) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29960310 0.79 KAT2B (0.81) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2469265 0.79 KAT2B (0.81) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6595723 0.78 MAPT (0.65) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21113593 0.78 KMT2A (0.55) KAT2BMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL21071015 0.78 MAPT (0.61) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28845231 0.78 KMT2A (0.55) KAT2BMAPTSMN1; SMN2ALDH1A1LMNA

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 KAT2B 1403/4885MAPT 4392/4885NPC1 3788/4885
US-12220419-B2 BCL-2 inhibitors BCL2L10, BCL2, BCL2L11 KAT2B 1403/4885MAPT 4392/4885NPC1 3788/4885

“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.