SCHEMBL25617693

SCHEMBL25617693

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LSS P48449 2/20 0.40
ADORA2B P29275 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTT P42858 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) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL25617763 0.93 POLB (0.41) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL25620124 0.91 POLB (0.47) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL25617671 0.91 ALDH1A1 (0.56) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL25617678 0.90 ALDH1A1 (0.45) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL25617685 0.88 TNF (0.44) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL25618048 0.88 POLB (0.44) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL25617881 0.88 POLB (0.44) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL25617668 0.87 ALDH1A1 (0.52) POLBALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL25619797 0.87 ALDH1A1 (0.52) POLBALDH1A1CYP3A4CYP2C19CYP2C9

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 2 patents. 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
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 1186/4885ALDH1A1 61/4885CYP3A4 263/4885

“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.