SCHEMBL23908182

SCHEMBL23908182

N[SH](=O)=O.O=[N+]([O-])c1ccccc1NCCN1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KAT2B Q92831 2/20 0.50
HTR6 P50406 4/20 0.47
MAPT P10636 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 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
SCHEMBL16690122 0.82 KAT2B (0.56) MEN1KMT2AKAT2BMAPTNPC1
SCHEMBL5550215 0.81 KAT2B (0.55) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL737318 0.79 MEN1 (0.62) MEN1KMT2AKAT2BMAPTRAB9A
SCHEMBL8871936 0.77 MEN1 (0.52) MEN1KMT2AHTR6MAPTRAB9A
SCHEMBL21751695 0.77 MAPT (0.59) MEN1KMT2AMAPTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL21751590 0.76 MAPT (0.58) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL21331195 0.75 KAT2B (0.57) MEN1KMT2AKAT2BMAPTNPC1
SCHEMBL14960166 0.74 KAT2B (0.53) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11712746 0.74 KAT2B (0.59) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11715381 0.73 HTT (0.60) KMT2AKAT2BHTR6MAPTNPC1

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 MEN1 2181/4885KMT2A 675/4885KAT2B 1403/4885
US-12220419-B2 BCL-2 inhibitors BCL2L10, BCL2, BCL2L11 MEN1 2181/4885KMT2A 675/4885KAT2B 1403/4885

“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.