SCHEMBL22441791

SCHEMBL22441791

O=C(C=Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)Nc1cncc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ LMNA P02545 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ PKM P14618 2/20 0.60
▸ HSP90AA1 P07900 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ MAOB P27338 1/20 0.56
▸ KCNK3 O14649 2/20 0.54
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ NAMPT P43490 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL22441789 1.00 MEN1 (0.60) MEN1KMT2ALMNAMAPTPKM
SCHEMBL22441884 0.89 MEN1 (0.60) MEN1KMT2ALMNAMAPTPKM
SCHEMBL22441885 0.89 MEN1 (0.60) MEN1KMT2ALMNAMAPTPKM
SCHEMBL22455325 0.88 MEN1 (0.54) MEN1KMT2ALMNAMAPTPKM
SCHEMBL22441867 0.85 MEN1 (0.66) MEN1KMT2ALMNAMAPTPKM
SCHEMBL22441864 0.85 MEN1 (0.66) MEN1KMT2ALMNAMAPTPKM
SCHEMBL22441740 0.84 MAPT (0.68) MEN1KMT2ALMNAMAPTPKM
SCHEMBL22441743 0.84 MAPT (0.68) MEN1KMT2ALMNAMAPTPKM
SCHEMBL8059481 0.84 MEN1 (0.81) MEN1KMT2ALMNAMAPTPKM
SCHEMBL8059485 0.84 MEN1 (0.81) MEN1KMT2ALMNAMAPTPKM

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 702/4885LMNA 317/4885

“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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