SCHEMBL21296782

SCHEMBL21296782

CC(C)(C)OC(=O)n1nccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.41
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 6/20 0.38
HTT P42858 1/20 0.38
USP30 Q70CQ3 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MET P08581 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
F2RL3 Q96RI0 1/20 0.36
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21296766 0.80 USP30 (0.41) USP30
SCHEMBL21296822 0.76 ALDH1A1 (0.44) PDE4BALDH1A1RAB9ANPC1TDP1
SCHEMBL19329675 0.76 ALDH1A1 (0.43) ALDH1A1HTTLMNAMAPTMEN1
SCHEMBL6365979 0.74 ALDH1A1 (0.49) PDE4BALDH1A1RAB9ANPC1TDP1
SCHEMBL29937826 0.73 F2RL3 (0.46) PDE4BNPSR1ALDH1A1HTTRAB9A
SCHEMBL2061332 0.73 HSD11B1 (0.43) PDE4BNPSR1ALDH1A1HTTRAB9A
SCHEMBL13425786 0.73 F2RL3 (0.39) PDE4BNPSR1ALDH1A1HTTRAB9A
SCHEMBL8708200 0.72 ALDH1A1 (0.38) NPSR1ALDH1A1HTTMETTDP1
SCHEMBL2481191 0.72 CREBBP (0.44) NPSR1ALDH1A1HTTRAB9ANPC1
SCHEMBL29510797 0.72 CREBBP (0.44) NPSR1ALDH1A1HTTRAB9ANPC1

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-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 WO 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-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 PDE4B 940/4885NPSR1 1131/4885ALDH1A1 1242/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 PDE4B 940/4885NPSR1 1131/4885ALDH1A1 1242/4885

“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.