SCHEMBL29212295

SCHEMBL29212295

O=[N+]([O-])c1cccc2c(I)cn(S(=O)(=O)c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.42
▸ HTR6 P50406 5/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ TNFSF11 O14788 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FGFR1 P11362 1/20 0.36

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
SCHEMBL31315857 0.90 HTR6 (0.44) KMT2AHTR6HTR2ATDP1ALDH1A1
SCHEMBL6039628 0.75 HTR6 (0.40) KMT2AHTR6MEN1AKR1C3AKR1C1
SCHEMBL18662592 0.74 CA1 (0.46) KMT2AHTR6HTR2ATDP1ALDH1A1
SCHEMBL29430983 0.74 CA1 (0.46) KMT2AHTR6HTR2ATDP1ALDH1A1
SCHEMBL20762623 0.74 HTR6 (0.53) KMT2AHTR6HTR2AALDH1A1MEN1
SCHEMBL5350219 0.72 HTR6 (0.64) KMT2AHTR6MEN1AKR1C3AKR1C1
SCHEMBL29687030 0.71 HTR6 (0.61) KMT2AHTR6HTR2AALDH1A1MEN1
SCHEMBL17179377 0.71 KDM4E (0.47) HTR6GAACA1CA2PKM
SCHEMBL3241536 0.71 HTR6 (0.61) KMT2AHTR6HTR2AALDH1A1MEN1
SCHEMBL29212386 0.71 VCAM1 (0.43) KMT2AHTR6ALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968361-A Compounds targeting p 53Y 220 mutants 北京加科思新药研发有限公司 2025-05-09 — — CN disclosed
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 — — US disclosed
EP-4384510-A1 COMPOUNDS TARGETING MUTANT OF P53 Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-06-19 — — EP disclosed
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 — — CN disclosed
WO-2024041503-A1 COMPOUNDS TARGETING Y220C MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-02-29 — — WO disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — 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 (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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 KMT2A 3880/4885HTR6 3835/4885HTR2A 4197/4885

“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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