SCHEMBL22441856

SCHEMBL22441856

O=C(C=Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)Nc1ccc(C(F)(F)F)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ MAPT P10636 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ HSP90AA1 P07900 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ KCNQ3 O43525 2/20 0.58
▸ KCNQ2 O43526 2/20 0.58
▸ KCNE1 P15382 2/20 0.58
▸ KCNQ1 P51787 2/20 0.58
▸ MAOB P27338 1/20 0.58
▸ CA12 O43570 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ HTT P42858 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ KCNQ5 Q9NR82 1/20 0.54

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
SCHEMBL22441851 1.00 MEN1 (0.62) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL22441864 0.85 MEN1 (0.66) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL22441867 0.85 MEN1 (0.66) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL22441815 0.83 MEN1 (0.60) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL22441811 0.83 MEN1 (0.60) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL22441884 0.83 MEN1 (0.60) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL22441722 0.83 MEN1 (0.60) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL22441789 0.83 MEN1 (0.60) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL22441791 0.83 MEN1 (0.60) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL22441667 0.81 PKM (0.72) MEN1KMT2AMAPTLMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299282-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS LLC (US) 2020-09-24 — — 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-20200299282-A1 COMPOUNDS AND METHODS FOR TREATING CANCER VHL, TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MEN1 364/4885KMT2A 702/4885MAPT 3913/4885

“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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