SCHEMBL25988604

SCHEMBL25988604

NCCCCCOCCOCCn1cc([N+](=O)[O-])c(C(N)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 3/20 0.32
PRSS1 P07477 2/20 0.32
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL21070039 0.92 MCL1 (0.40) MCL1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21069327 0.91 MCL1 (0.42) MCL1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21070235 0.91 MCL1 (0.42) MCL1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30241947 0.81 MCL1 (0.41) MCL1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12800201 0.79 ALDH1A1 (0.45) MCL1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL25988699 0.77 HRH3 (0.32) JAK3
SCHEMBL21070899 0.77 MCL1 (0.36) MCL1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL26923737 0.77 MCL1 (0.36) MCL1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21069289 0.76 BCHE (0.41) MCL1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21070875 0.76 BCHE (0.41) MCL1ALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 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 (1 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-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 MCL1 1117/4885ALDH1A1 2776/4885L3MBTL1 1394/4885

“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.