SCHEMBL20746277

SCHEMBL20746277

O=C(Cc1ccc(/C=C/C(=O)c2ncc[nH]2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC9 Q9UKV0 5/20 0.44
HDAC5 Q9UQL6 5/20 0.44
NR2E1 Q9Y466 3/20 0.44
RET P07949 2/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL20746278 1.00 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22733797 0.91 MAOB (0.45) RETPSEN1PSEN2APH1BNCSTN
SCHEMBL20754522 0.91 MAOB (0.45) RETPSEN1PSEN2APH1BNCSTN
SCHEMBL20746504 0.86 EGFR (0.42) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20746503 0.86 EGFR (0.42) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20746553 0.84 GAA (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20746552 0.84 GAA (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20746435 0.83 KMT2A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20746436 0.83 KMT2A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20746341 0.82 SMN1; SMN2 (0.51) CYP2D6NLRP3LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 US claimed
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 US disclosed
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 US disclosed
WO-2019036607-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2019-02-21 WO disclosed
WO-2019036607-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2019-02-21 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-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME HDAC1, HDAC8, HDAC2 HDAC3 9/4885HDAC4 8/4885HDAC1 1/4885

“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.