SCHEMBL789641

SCHEMBL789641

COc1ncc(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PIK3CG P48736 1/20 0.47
▸ NFKBIA P25963 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ EDNRB P24530 1/20 0.46
▸ EDNRA P25101 1/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ CYTH2 Q99418 1/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA3 P07451 1/20 0.43

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
SCHEMBL16551868 0.85 PIK3CA (0.55) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL15648432 0.84 PIK3CG (0.49) PIK3CGPIK3R1PIK3CAS100A9
SCHEMBL15556197 0.84 MTOR (0.55) ALDH1A1PIK3CGPIK3R1PIK3CA
SCHEMBL22447546 0.84 CCR4 (0.59) ALDH1A1LMNAPIK3CGPIK3R1PIK3CA
SCHEMBL358926 0.84 PIK3CG (0.63) PIK3CGPIK3R1PIK3CAS100A9
SCHEMBL28549695 0.83 PIK3CG (0.50) MEN1KMT2APIK3CGPIK3R1PIK3CA
Ammonia Solution, Strong SCHEMBL28564473 0.81 PIK3CG (0.49) MEN1KMT2APIK3CGPIK3R1PIK3CA
SCHEMBL17022151 0.81 PIK3CA (0.58) MEN1KMT2ALMNAPOLBPIK3CG
SCHEMBL790722 0.81 PIK3CA (0.58) MEN1KMT2APIK3CGPIK3CAS100A9
SCHEMBL789512 0.81 KEAP1 (0.55) MEN1KMT2AALDH1A1LMNAEDNRB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 — — US disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 — — US disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — WO 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 (2 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-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 MEN1 2696/4885KMT2A 918/4885TDP1 15/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 MEN1 2696/4885KMT2A 918/4885TDP1 15/4885

“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.

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