SCHEMBL24100754

SCHEMBL24100754

BC(B)(Cl)C(B)(B)N(CCCl)c1ccc(CC(N)C(=O)NC(Cc2ccc(F)cc2)C(=O)OCC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ CYP3A4 P08684 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ THPO P40225 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
SCHEMBL25021253 0.90 LMNA (0.38) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL24101006 0.88 MC4R (0.38) MC4RMC3RNOS2NOS3NOS1
SCHEMBL24101173 0.88 MC4R (0.38) MC4RMC3RNOS2NOS3NOS1
SCHEMBL24100557 0.86 LMNA (0.44) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
Melphalan Flufenamide SCHEMBL18239898 0.85 LMNA (0.53) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
Melphalan Flufenamide SCHEMBL20208719 0.85 LMNA (0.53) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
Melphalan Flufenamide SCHEMBL24101233 0.85 LMNA (0.53) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL25021306 0.85 MC4R (0.35) MC4RMC3RNOS2NOS3NOS1
Melphalan Flufenamide SCHEMBL29375249 0.85 LMNA (0.52) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL25021945 0.84 NOS2 (0.35) LMNAKDM4EMC4RMC3RNOS2

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
EP-3866931-B1 COMPOUNDS CONTAINING DEUTERIUM ONCOPEPTIDES AB (SE) 2023-02-15 — — EP disclosed
US-20210388024-A1 COMPOUNDS CONTAINING DEUTERIUM ONCOPEPTIDES AB (SE) 2021-12-16 — — 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 (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-20210388024-A1 COMPOUNDS CONTAINING DEUTERIUM DHX30, H1-10, REN LMNA 3001/4885CYP3A4 923/4885ALDH1A1 2685/4885

“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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