SCHEMBL25617820

SCHEMBL25617820

CCCN(CCOS(C)(=O)=O)c1c(C)cc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40
NOD1 Q9Y239 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL25617753 0.93 TNF (0.40) TNFRAB9ANOD1MEN1KMT2A
SCHEMBL25617802 0.92 MEN1 (0.45) TNFRAB9ANOD1MEN1KMT2A
SCHEMBL25617813 0.90 MAPT (0.39) TNFRAB9ANOD1MEN1KMT2A
SCHEMBL25618167 0.90 HSD11B1 (0.35) TNFRAB9ANOD1MEN1KMT2A
SCHEMBL25617827 0.90 POLB (0.41) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL25617622 0.88 HSD11B1 (0.39) TNFRAB9ANOD1MEN1KMT2A
SCHEMBL25617804 0.87 MEN1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL25617793 0.87 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL25617795 0.86 MAPT (0.44) L3MBTL1ALDH1A1MAPTLMNAHTT
SCHEMBL25617858 0.86 TDP1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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-11661404-B2 Prodrug compounds activated by AKR1C3 and their use for treating hyperproliferative disorders ACHILLES MEDICAL LIMITED (NZ) 2023-05-30 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-11661404-B2 Prodrug compounds activated by AKR1C3 and their use for treating hyperproliferative disorders AKR1C2, AKR1C1, AKR1B1 TNF 4255/4885RAB9A 2620/4885NOD1 4488/4885

“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.