SCHEMBL25620124

SCHEMBL25620124

Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)c1N(CCO)CCO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
LSS P48449 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ADORA2B P29275 1/20 0.39

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
SCHEMBL25619845 0.96 POLB (0.43) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25617693 0.91 POLB (0.47) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25619797 0.87 ALDH1A1 (0.52) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25620034 0.86 POLB (0.52) POLBSMN1; SMN2KMT2AALDH1A1CYP3A4
SCHEMBL25619421 0.85 POLB (0.48) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25620087 0.85 ALDH1A1 (0.50) POLBSMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL25617827 0.85 POLB (0.41) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25617763 0.84 POLB (0.41) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25617671 0.81 ALDH1A1 (0.56) POLBSMN1; SMN2KMT2AALDH1A1CYP3A4
SCHEMBL25619979 0.80 L3MBTL1 (0.41) SMN1; SMN2ALDH1A1CYP3A4CYP2C9CYP2C19

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 POLB 1186/4885SMN1; SMN2 4208/4885MEN1 2592/4885

“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.