SCHEMBL30150839

SCHEMBL30150839

O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)ccc1NCC1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.53
PKM P14618 4/20 0.48
LMNA P02545 9/20 0.47
TDP1 Q9NUW8 4/20 0.47
MAPK1 P28482 3/20 0.46
HCAR3 P49019 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
HPGD P15428 1/20 0.44
WNK1 Q9H4A3 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
SCHEMBL3998489 0.90 KMT2A (0.70) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL523815 0.90 MAPT (0.59) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL19692621 0.90 KMT2A (0.55) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29387647 0.90 MAPT (0.59) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4000252 0.89 MEN1 (0.56) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29832280 0.88 MAPT (0.53) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL31525064 0.88 KMT2A (0.53) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3998455 0.87 MEN1 (0.54) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3997877 0.86 PKM (0.53) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL16037790 0.86 KMT2A (0.56) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376104-A1 Bcl-2 Inhibitors BEIGENE LTD. (KY) 2024-11-14 US disclosed
US-12077536-B2 BCL-2 inhibitors BEIGENE, LTD. (KY) 2024-09-03 US disclosed
US-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 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 (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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 KMT2A 2464/4885MEN1 3803/4885MAPT 2900/4885
US-12077536-B2 BCL-2 inhibitors BCL2, BCL2L1, BCL2L2 KMT2A 2464/4885MEN1 3803/4885MAPT 2900/4885
US-20240376104-A1 Bcl-2 Inhibitors BCL2, BCL2L1, BCL2L2 KMT2A 2464/4885MEN1 3803/4885MAPT 2900/4885

“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.