SCHEMBL25617604

SCHEMBL25617604

CCCN(CCOS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
CYP19A1 P11511 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL21410471 0.96 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2
SCHEMBL23245075 0.95 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2
SCHEMBL23245113 0.92 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2
SCHEMBL25617602 0.91 MAPT (0.48) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2
SCHEMBL25617599 0.90 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2
SCHEMBL23245077 0.90 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2
SCHEMBL25617606 0.88 NPC1 (0.43) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2
SCHEMBL21410438 0.88 MAPT (0.51) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2
SCHEMBL23245047 0.88 MAPT (0.48) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2
SCHEMBL25617637 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2

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 61/4885SMN1; SMN2 4208/4885HTT 4808/4885

“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.