SCHEMBL25833887

SCHEMBL25833887

CC(=O)c1cc([N+](=O)[O-])nn1CCOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 3/20 0.34
P2RX3 P56373 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GCK P35557 1/20 0.33
HTT P42858 1/20 0.32
MET P08581 1/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20400477 0.90 P2RX3 (0.37) MEN1KMT2AALDH1A1KDM4CNPC1
SCHEMBL20400337 0.83 KDM4C (0.38) MEN1KMT2AALDH1A1KDM4CNPC1
SCHEMBL20400539 0.81 KDM4C (0.38) MEN1KMT2AALDH1A1KDM4CNPC1
SCHEMBL4181795 0.74 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4CNPC1
SCHEMBL4191329 0.74 MEN1 (0.45) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL15244573 0.74 KDM4C (0.34) MEN1KMT2AALDH1A1KDM4CNPC1
SCHEMBL4192007 0.73 NPC1 (0.41) MEN1KMT2AALDH1A1KDM4CNPC1
SCHEMBL16450831 0.72 MEN1 (0.42) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL25509745 0.72 HTT (0.43) MEN1KMT2AALDH1A1NPC1HTT
SCHEMBL11873381 0.72 LMNA (0.56) KMT2AALDH1A1LMNASMN1; SMN2

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-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 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-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 MEN1 4064/4885KMT2A 4240/4885ALDH1A1 649/4885

“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.