SCHEMBL25617680

SCHEMBL25617680

Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)c1N(CCBr)CCBr

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
POLB P06746 2/20 0.48
PKM P14618 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
MAPK1 P28482 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
SCHEMBL25619819 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25617751 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25620087 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25618004 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25617887 0.88 PKM (0.43) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25617674 0.87 L3MBTL1 (0.49) ALDH1A1KDM4EPOLBL3MBTL1LMNA
SCHEMBL25617671 0.87 ALDH1A1 (0.56) ALDH1A1POLBPKMCYP3A4CYP2C9
SCHEMBL25617511 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25617818 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL25617693 0.85 POLB (0.47) 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 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 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.