SCHEMBL25619979

SCHEMBL25619979

Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(CC(O)CO)CC2)c1N(CCO)CCO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 6/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
CYP2C9 P11712 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
SCHEMBL21410465 0.93 NPC1 (0.40) L3MBTL1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL21416266 0.89 NPC1 (0.40) L3MBTL1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL25617801 0.86 NPC1 (0.39) L3MBTL1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL23245124 0.86 NPC1 (0.37) L3MBTL1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL21410614 0.86 NPC1 (0.37) L3MBTL1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL25619323 0.83 NPC1 (0.43) L3MBTL1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL25620690 0.83 NPC1 (0.35) NPC1MAPTSMN1; SMN2LMNAHTT
SCHEMBL25620167 0.81 ALDH1A1 (0.50) L3MBTL1MAPTSMN1; SMN2LMNAHTT
SCHEMBL25617660 0.80 ALDH1A1 (0.46) L3MBTL1MAPTSMN1; SMN2LMNAHTT
SCHEMBL25620124 0.80 POLB (0.47) L3MBTL1MAPTSMN1; SMN2LMNAHTT

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 L3MBTL1 4126/4885NPC1 1212/4885MAPT 4673/4885

“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.