SCHEMBL23803582

SCHEMBL23803582

[2H]CC([2H])C(C)(C)C(=O)N(Cc1cc(F)cc(F)c1)OC(=O)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ THRB P10828 1/20 0.36
▸ LMNA P02545 4/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL23819624 0.82 KMT2A (0.39) KMT2AATMTDP1ALDH1A1THRB
SCHEMBL23803527 0.75 RIPK1 (0.34) RIPK1
SCHEMBL23819865 0.75 RIPK1 (0.55) KMT2ATDP1ALDH1A1THRBLMNA
SCHEMBL23803518 0.71 — —
SCHEMBL23803548 0.70 RIPK1 (0.31) RIPK1
SCHEMBL28777485 0.64 KMT2A (0.75) KMT2AATMALDH1A1THRBLMNA
SCHEMBL27991188 0.63 ALDH1A1 (0.54) KMT2ATDP1ALDH1A1LMNAL3MBTL1
SCHEMBL10487075 0.63 ALDH1A1 (0.53) KMT2AATMALDH1A1CYP1A2
SCHEMBL27693199 0.63 ALDH1A1 (0.66) KMT2AATMTDP1ALDH1A1THRB
SCHEMBL6169489 0.63 AGER (0.47) ALDH1A1LMNATSHR

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-12129221-B2 Difluoro phenyl amide RIP1 inhibitor SIRONAX LTD (KY) 2024-10-29 — — US disclosed
US-20210284598-A1 RIP1 Inhibitors SIRONAX LTD (KY) 2021-09-16 — — 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 (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-20210284598-A1 RIP1 Inhibitors RIPK1, RIPK3, RIPK4 KMT2A 3181/4885ATM 3398/4885TDP1 320/4885
US-12129221-B2 Difluoro phenyl amide RIP1 inhibitor RIPK1, RIPK3, RIPK4 KMT2A 3406/4885ATM 3315/4885TDP1 199/4885

“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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