SCHEMBL25619396

SCHEMBL25619396

O=[N+]([O-])c1ccc(N(CCO)CCO)c(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL25619145 0.96 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25617511 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25620087 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25617620 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25619421 0.84 POLB (0.48) ALDH1A1KDM4EPOLBCYP3A4CYP2C9
SCHEMBL25617561 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25619819 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25619108 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBCYP3A4CYP2C9
SCHEMBL25619364 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBCYP3A4CYP2C9
SCHEMBL25619196 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBCYP3A4CYP2C9

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 ALDH1A1 61/4885KDM4E 2709/4885POLB 1186/4885

“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.