SCHEMBL25617812

SCHEMBL25617812

CCCN(CCOS(C)(=O)=O)c1c(C)cc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL25617747 0.93 L3MBTL1 (0.43) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL25617958 0.90 MEN1 (0.46) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL25618121 0.90 KMT2A (0.42) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL25617616 0.89 KMT2A (0.44) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL25617818 0.88 ALDH1A1 (0.43) L3MBTL1KDM4EALDH1A1MAPTPOLB
SCHEMBL25617802 0.88 MEN1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL25617820 0.86 TNF (0.40) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL25617813 0.85 MAPT (0.39) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL25617674 0.85 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL25617793 0.85 ALDH1A1 (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 MEN1 2592/4885KMT2A 2675/4885L3MBTL1 4126/4885

“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.